Home Cart 0 Sign in  

[ CAS No. 143679-80-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 143679-80-5
Chemical Structure| 143679-80-5
Structure of 143679-80-5 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 143679-80-5 ]

Related Doc. of [ 143679-80-5 ]

Alternatived Products of [ 143679-80-5 ]

Product Details of [ 143679-80-5 ]

CAS No. :143679-80-5 MDL No. :MFCD04974224
Formula : C11H19NO4 Boiling Point : -
Linear Structure Formula :- InChI Key :BUEPEVBYNBQNED-YUMQZZPRSA-N
M.W : 229.27 Pubchem ID :1268162
Synonyms :

Calculated chemistry of [ 143679-80-5 ]

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.82
Num. rotatable bonds : 5
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 59.16
TPSA : 75.63 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) : -6.34 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.01
Log Po/w (XLOGP3) : 1.92
Log Po/w (WLOGP) : 1.76
Log Po/w (MLOGP) : 1.03
Log Po/w (SILICOS-IT) : 0.55
Consensus Log Po/w : 1.46

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.14
Solubility : 1.66 mg/ml ; 0.00723 mol/l
Class : Soluble
Log S (Ali) : -3.13
Solubility : 0.169 mg/ml ; 0.000738 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.14
Solubility : 16.6 mg/ml ; 0.0724 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.03

Safety of [ 143679-80-5 ]

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 [ 143679-80-5 ]

* 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 [ 143679-80-5 ]
  • Downstream synthetic route of [ 143679-80-5 ]

[ 143679-80-5 ] Synthesis Path-Upstream   1~13

  • 1
  • [ 143617-95-2 ]
  • [ 143679-80-5 ]
Reference: [1] Journal of Medicinal Chemistry, 1992, vol. 35, # 21, p. 3774 - 3783
  • 2
  • [ 611-10-9 ]
  • [ 143679-80-5 ]
Reference: [1] Journal of the American Chemical Society, 2004, vol. 126, # 46, p. 15067 - 15073
  • 3
  • [ 24424-99-5 ]
  • [ 143679-80-5 ]
Reference: [1] Journal of Medicinal Chemistry, 1992, vol. 35, # 21, p. 3774 - 3783
  • 4
  • [ 110611-68-2 ]
  • [ 143679-80-5 ]
Reference: [1] Journal of Medicinal Chemistry, 1992, vol. 35, # 21, p. 3774 - 3783
  • 5
  • [ 143617-94-1 ]
  • [ 143679-80-5 ]
Reference: [1] Journal of Medicinal Chemistry, 1992, vol. 35, # 21, p. 3774 - 3783
  • 6
  • [ 359586-68-8 ]
  • [ 143679-80-5 ]
Reference: [1] Journal of the American Chemical Society, 2004, vol. 126, # 46, p. 15067 - 15073
  • 7
  • [ 359586-66-6 ]
  • [ 143679-80-5 ]
Reference: [1] Journal of the American Chemical Society, 2004, vol. 126, # 46, p. 15067 - 15073
  • 8
  • [ 192385-82-3 ]
  • [ 143679-80-5 ]
Reference: [1] Tetrahedron, 1997, vol. 53, # 23, p. 7975 - 7984
  • 9
  • [ 115794-30-4 ]
  • [ 143679-80-5 ]
Reference: [1] Tetrahedron, 1997, vol. 53, # 23, p. 7975 - 7984
  • 10
  • [ 192385-78-7 ]
  • [ 143679-80-5 ]
Reference: [1] Tetrahedron, 1997, vol. 53, # 23, p. 7975 - 7984
  • 11
  • [ 192385-75-4 ]
  • [ 143679-80-5 ]
Reference: [1] Tetrahedron, 1997, vol. 53, # 23, p. 7975 - 7984
  • 12
  • [ 192385-80-1 ]
  • [ 143679-80-5 ]
Reference: [1] Tetrahedron, 1997, vol. 53, # 23, p. 7975 - 7984
  • 13
  • [ 24424-99-5 ]
  • [ 64191-13-5 ]
  • [ 143679-80-5 ]
Reference: [1] Journal of the American Chemical Society, 2004, vol. 126, # 46, p. 15067 - 15073
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 143679-80-5 ]

Amino Acid Derivatives

Chemical Structure| 132605-96-0

[ 132605-96-0 ]

(R)-2-(((tert-Butoxycarbonyl)amino)methyl)-4-methylpentanoic acid

Similarity: 0.94

Chemical Structure| 855863-93-3

[ 855863-93-3 ]

3-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylic acid

Similarity: 0.94

Chemical Structure| 161660-94-2

[ 161660-94-2 ]

(1R,3S)-3-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylic acid

Similarity: 0.94

Chemical Structure| 261165-05-3

[ 261165-05-3 ]

(1S,3R)-3-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylic acid

Similarity: 0.94

Chemical Structure| 489446-85-7

[ 489446-85-7 ]

(1R,3R)-3-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylic acid

Similarity: 0.94