Methyl phenylglycinate, L-

HCID 1201451

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Basic information

CAS: 37760-98-8
Standard SMILES: COC(=O)[C@@H](N)c1ccccc1
InChIKey: BHFLUDRTVIDDOR-QMMMGPOBSA-N
Molecular formula: C9H11NO2
Average molar mass: 165.19 g/mol

Names & identifiers

Preferred name: Methyl phenylglycinate, L-
IUPAC: methyl (2S)-2-amino-2-phenylacetate
English name: (S)-Methyl 2-aMino-2-phenylacetate
Molecular formula: C9H11NO2
Molecular weight: 165.19

Names & synonyms

37760-98-8Methyl (S)-2-amino-2-phenylacetateL-Phenylglycine methyl esterMethyl L-phenylglycinateMethyl (S)-phenylglycinateMethyl phenylglycinate, L-Methyl phenylglycinate, (+)-UNII-HFS522G80LS-(+)-2-Phenylglycine methyl esterHFS522G80LBenzeneacetic acid, alpha-amino-, methyl ester, (alphaS)-BENZENEACETIC ACID, .ALPHA.-AMINO-, METHYL ESTER, (.ALPHA.S)-

Show more names

(S)-Phenylglycine methyl esterCefaclor Impurity 62methyl(S)-2-amino-2-phenylacetateImpurity 36 monomer of cycloserineBenzeneacetic acid, α-amino-, methyl ester, (αS)-

RefChem:201731(S)-Methyl 2-amino-2-phenylacetatemethyl (2S)-2-amino-2-phenylacetateMFCD11978063methyl (2S)-amino(phenyl)acetate(S)-2-Phenylglycine methyl ester(S)-Methyl2-amino-2-phenylacetate(S)-a-Amino-benzeneacetic acid methyl ester

Database identifiers

CAS: 37760-98-8
PubChem CID: 1201451
ChEMBL: CHEMBL467523
UNII: HFS522G80L
Nikkaji: J72.308H

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 153

Physicochemical properties

Melting point: 66 · 66-68 °C
Boiling point: 122 °C · 122 °C(Press: 5-6 Torr)
Density: 1.126 · 1.126±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
pka: 6.7 · 6.70±0.10(Predicted)
FDA UNII: 522 G80L · HFS522G80L
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338