Home Cart 0 Sign in  
X

[ CAS No. 63088-78-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 63088-78-8
Chemical Structure| 63088-78-8
Chemical Structure| 63088-78-8
Structure of 63088-78-8 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 63088-78-8 ]

Related Doc. of [ 63088-78-8 ]

Alternatived Products of [ 63088-78-8 ]

Product Details of [ 63088-78-8 ]

CAS No. :63088-78-8 MDL No. :MFCD19217172
Formula : C6H11NO3 Boiling Point : -
Linear Structure Formula :- InChI Key :RKEYKDXXZCICFZ-WHFBIAKZSA-N
M.W : 145.16 Pubchem ID :11040828
Synonyms :

Calculated chemistry of [ 63088-78-8 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.83
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 3.0
Molar Refractivity : 38.49
TPSA : 69.56 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -9.18 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.89
Log Po/w (XLOGP3) : -2.81
Log Po/w (WLOGP) : -1.2
Log Po/w (MLOGP) : -3.07
Log Po/w (SILICOS-IT) : -0.44
Consensus Log Po/w : -1.32

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 1.1
Solubility : 1810.0 mg/ml ; 12.5 mol/l
Class : Highly soluble
Log S (Ali) : 1.9
Solubility : 11600.0 mg/ml ; 80.2 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.36
Solubility : 336.0 mg/ml ; 2.32 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.31

Safety of [ 63088-78-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 63088-78-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 63088-78-8 ]
  • Downstream synthetic route of [ 63088-78-8 ]

[ 63088-78-8 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 63088-78-8 ]
  • [ 1174020-64-4 ]
Reference: [1] Organic Letters, 2014, vol. 16, # 1, p. 174 - 177
[2] Organic Letters, 2014, vol. 16, # 1, p. 174 - 177
Same Skeleton Products
Historical Records

Pharmaceutical Intermediates of
[ 63088-78-8 ]

Relebactam Related Intermediates

Chemical Structure| 79722-21-7

[ 79722-21-7 ]

tert-Butyl benzyloxycarbamate

Chemical Structure| 53100-44-0

[ 53100-44-0 ]

Boc-Pyr-OH

Chemical Structure| 87120-72-7

[ 87120-72-7 ]

tert-Butyl 4-aminopiperidine-1-carboxylate

Chemical Structure| 1174020-64-4

[ 1174020-64-4 ]

tert-Butyl 4-((1R,2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamido)piperidine-1-carboxylate

Chemical Structure| 120278-07-1

[ 120278-07-1 ]

1-N-Cbz-4-Aminopiperidine

Similar Product of
[ 63088-78-8 ]

Chemical Structure| 154307-84-3

A222384[ 154307-84-3 ]

(2S,5S)-5-Hydroxypiperidine-2-carboxylic acid hydrochloride

Reason: Free-salt

Chemical Structure| 448964-01-0

A616759[ 448964-01-0 ]

(2R,5R)-5-Hydroxypiperidine-2-carboxylic acid

Reason: Optical isomers

Related Functional Groups of
[ 63088-78-8 ]

Alcohols

Chemical Structure| 154307-84-3

[ 154307-84-3 ]

(2S,5S)-5-Hydroxypiperidine-2-carboxylic acid hydrochloride

Similarity: 0.98

Chemical Structure| 133696-21-6

[ 133696-21-6 ]

(2R,4R)-4-Hydroxypiperidine-2-carboxylic acid hydrochloride

Similarity: 0.93

Chemical Structure| 144913-66-6

[ 144913-66-6 ]

Methyl 4-hydroxypiperidine-2-carboxylate

Similarity: 0.83

Chemical Structure| 7512-17-6

[ 7512-17-6 ]

N-Acetyl-D-glucosamine

Similarity: 0.72

Chemical Structure| 1811-31-0

[ 1811-31-0 ]

N-Acetyl-D-galactosamine

Similarity: 0.72

Carboxylic Acids

Chemical Structure| 154307-84-3

[ 154307-84-3 ]

(2S,5S)-5-Hydroxypiperidine-2-carboxylic acid hydrochloride

Similarity: 0.98

Chemical Structure| 133696-21-6

[ 133696-21-6 ]

(2R,4R)-4-Hydroxypiperidine-2-carboxylic acid hydrochloride

Similarity: 0.93

Chemical Structure| 99571-58-1

[ 99571-58-1 ]

6-Methylpiperidine-2-carboxylic acid

Similarity: 0.92

Chemical Structure| 15862-86-9

[ 15862-86-9 ]

Piperidine-2-carboxylic acid hydrochloride

Similarity: 0.90

Chemical Structure| 2133-33-7

[ 2133-33-7 ]

(S)-Piperidine-2-carboxylic acid hydrochloride

Similarity: 0.90

Related Parent Nucleus of
[ 63088-78-8 ]

Aliphatic Heterocycles

Chemical Structure| 154307-84-3

[ 154307-84-3 ]

(2S,5S)-5-Hydroxypiperidine-2-carboxylic acid hydrochloride

Similarity: 0.98

Chemical Structure| 133696-21-6

[ 133696-21-6 ]

(2R,4R)-4-Hydroxypiperidine-2-carboxylic acid hydrochloride

Similarity: 0.93

Chemical Structure| 99571-58-1

[ 99571-58-1 ]

6-Methylpiperidine-2-carboxylic acid

Similarity: 0.92

Chemical Structure| 15862-86-9

[ 15862-86-9 ]

Piperidine-2-carboxylic acid hydrochloride

Similarity: 0.90

Chemical Structure| 2133-33-7

[ 2133-33-7 ]

(S)-Piperidine-2-carboxylic acid hydrochloride

Similarity: 0.90

Piperidines

Chemical Structure| 154307-84-3

[ 154307-84-3 ]

(2S,5S)-5-Hydroxypiperidine-2-carboxylic acid hydrochloride

Similarity: 0.98

Chemical Structure| 133696-21-6

[ 133696-21-6 ]

(2R,4R)-4-Hydroxypiperidine-2-carboxylic acid hydrochloride

Similarity: 0.93

Chemical Structure| 99571-58-1

[ 99571-58-1 ]

6-Methylpiperidine-2-carboxylic acid

Similarity: 0.92

Chemical Structure| 15862-86-9

[ 15862-86-9 ]

Piperidine-2-carboxylic acid hydrochloride

Similarity: 0.90

Chemical Structure| 2133-33-7

[ 2133-33-7 ]

(S)-Piperidine-2-carboxylic acid hydrochloride

Similarity: 0.90