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. : | 487-79-6 | MDL No. : | MFCD00077806 |
Formula : | C10H15NO4 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | VLSMHEGGTFMBBZ-OOZYFLPDSA-N |
M.W : | 213.23 | Pubchem ID : | 10255 |
Synonyms : |
|
Chemical Name : | (2S,3S,4S)-3-(Carboxymethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylic acid |
Num. heavy atoms : | 15 |
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 : | 57.86 |
TPSA : | 86.63 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) : | -8.88 cm/s |
Log Po/w (iLOGP) : | 1.0 |
Log Po/w (XLOGP3) : | -1.8 |
Log Po/w (WLOGP) : | -0.05 |
Log Po/w (MLOGP) : | -1.98 |
Log Po/w (SILICOS-IT) : | 0.11 |
Consensus Log Po/w : | -0.55 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.56 |
Log S (ESOL) : | 0.24 |
Solubility : | 367.0 mg/ml ; 1.72 mol/l |
Class : | Highly soluble |
Log S (Ali) : | 0.5 |
Solubility : | 670.0 mg/ml ; 3.14 mol/l |
Class : | Highly soluble |
Log S (SILICOS-IT) : | -0.34 |
Solubility : | 97.0 mg/ml ; 0.455 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 3.12 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501 | UN#: | N/A |
Hazard Statements: | H302-H312-H332 | 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 |
---|---|---|
89% | With triethylamine In 1,4-dioxane; water | |
With iodine; sodium hydrogencarbonate; triethylamine; potassium iodide 1.) dioxane, water, 2.) water; Multistep reaction; |
A700408[ 58002-62-3 ]
(2S,3S,4S)-3-(Carboxymethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylic acid hydrate
Reason: Derivatives