Methyl L-prolinate

HCID 853477

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Basic information

CAS: 2577-48-2
Standard SMILES: COC(=O)[C@@H]1CCCN1
InChIKey: BLWYXBNNBYXPPL-YFKPBYRVSA-N
Molecular formula: C6H11NO2
Average molar mass: 129.16 g/mol
Monoisotopic mass: 129.07897859

Names & identifiers

Preferred name: Methyl L-prolinate
IUPAC: methyl (2S)-pyrrolidine-2-carboxylate
English name: methyl L-prolinate
Molecular formula: C6H11NO2
Molecular weight: 129.16

Names & synonyms

Methyl L-prolinate(-)-L-Proline methyl esterL-Proline, methyl ester(S)-proline methyl esterUNII-0II79F4L0K0II79F4L0KMETHYL L-PROLINEEINECS 219-932-6METHYL (S)-PROLINATEMETHYL PROLINE, (S)-METHYL PROLINE, (-)-PROLINE, METHYL ESTER, L-

Show more names

(S)-Methyl pyrrolidine-2-carboxylatemethyI L-prolinatemethyl L-prolinate hclVildagliptin Impurity 58Methyl L-prolinate Impurity 1Methyl L-prolinate Impurity 1 1Methyl (2s)-pyrrolidine-2-carboxylate

methyl (2s)-2-pyrrolidinecarboxylate(S)-PYRROLIDINE-2-CARBOXYLIC ACID METHYL ESTERMETHYL (S)-PYRROLIDINE-2-CARBOXYLATEDTXSID60943883RefChem:157919DTXCID00884408219-932-6Methyl prolinate

Database identifiers

CAS: 2577-48-2
PubChem CID: 853477
DTXSID: DTXSID401311462
UNII: 0II79F4L0K
EC Number: 219-932-6
Nikkaji: J192.084G

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 114

Physicochemical properties

Melting point: 151 · 151-152 °C(Solv: ethyl ether (60-29-7))
Boiling point: 70 °C · 70 °C(Press: 10 Torr)
Density: 1.055 · 1.055±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
pka: 8.23 · 8.23±0.10(Predicted)
FDA UNII: 0 II79F4L0K · 0II79F4L0K
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338