Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 1948-48-7 | MDL No. : | MFCD00056698 |
Formula : | C5H9NO4 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | BBJIPMIXTXKYLZ-UHFFFAOYSA-N |
M.W : | 147.13 | Pubchem ID : | 73064 |
Synonyms : |
3-Aminopentanedioic acid
|
Num. heavy atoms : | 10 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.6 |
Num. rotatable bonds : | 4 |
Num. H-bond acceptors : | 5.0 |
Num. H-bond donors : | 3.0 |
Molar Refractivity : | 32.4 |
TPSA : | 100.62 Ų |
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) : | -9.99 cm/s |
Log Po/w (iLOGP) : | 0.22 |
Log Po/w (XLOGP3) : | -3.93 |
Log Po/w (WLOGP) : | -0.74 |
Log Po/w (MLOGP) : | -0.96 |
Log Po/w (SILICOS-IT) : | -1.19 |
Consensus Log Po/w : | -1.32 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.56 |
Log S (ESOL) : | 1.99 |
Solubility : | 14300.0 mg/ml ; 97.2 mol/l |
Class : | Highly soluble |
Log S (Ali) : | 2.41 |
Solubility : | 38200.0 mg/ml ; 259.0 mol/l |
Class : | Highly soluble |
Log S (SILICOS-IT) : | 0.89 |
Solubility : | 1150.0 mg/ml ; 7.83 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.3 |
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: |
* 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.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
90% | With sodium hydroxide In tetrahydrofuran; water at 20℃; for 120 h; | ss-GLUTAMIC acid (1.01 g, 6.8 MMOL) was dissolved in THF (30 ML) and water (15 ML). Di-tert- butyidicarbonate (2.98 g, 13.6 MMOL) and 10percent aqueous sodium hydroxide (8.3 ML) were added and the mixture was stirred at room temperature for 5 days. The mixture was evaporated and resuspended in water (30 ml), and then acidified with 1 M potassium hydrogen sulphate until pH=2. The aqueous phase was extracted with 2x 60 ml of ethyl acetate and the combined organic layers were dried over sodium sulfate, filtered and evaporated to afford 1.5 g (90percent) of 3-tert-butoxycarbonylaminopentanedioic acid as white crystals. #x0;H-NMR (MeOD): 81. 43 (s; 9H); 2.55 (d; 4H); 4.25 (quin; 1H). HPLC-MS: (method B): m/z: 148 (M+1-Boc). |
[ 64234-61-3 ]
(S)-3-Aminohexanoic acid hydrochloride
Similarity: 0.92