Methyl (alphaS)-alpha-amino-2-chlorobenzeneacetate

C9H10ClNO2CAS 141109-14-0199.63 g/mol

Open in Covalent MOL file
OOH2NCl
Aryl halideEsterPrimary amine

Properties

Molecular formula
C9H10ClNO2
Molar mass
199.63 g/mol
Exact mass
199.0400 Da
logP
1.51Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
141109-14-0
SMILES
COC(=O)[C@@H](N)c1ccccc1Cl
InChIKey
UTWOZNRDJNWTPS-QMMMGPOBSA-N
InChI
InChI=1S/C9H10ClNO2/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5,8H,11H2,1H3/t8-/m0/s1

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Names and synonyms

8 names
  • Methyl (αS)-α-amino-2-chlorobenzeneacetate
  • Benzeneacetic acid, α-amino-2-chloro-, methyl ester, (αS)-
  • Benzeneacetic acid, α-amino-2-chloro-, methyl ester, (+)-
  • (+)-(S)-Methyl α-amino-α-(2-chlorophenyl)acetate
  • (S)-Methyl 2-(o-chlorophenyl)glycinate
  • Methyl (2S)-(+)-amino(2-chlorophenyl)acetate
  • Methyl (S)-2-amino-2-(2-chlorophenyl)acetate
  • (S)-(+)-2-ChlorophenyLglycine methyl ester

Work with Methyl (alphaS)-alpha-amino-2-chlorobenzeneacetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Methyl (2R)-2-amino-2-(2-chlorophenyl)acetate141109-16-2Enantiomer Benzeneacetic acid, α-amino-2-chloro-, methyl ester, (αS)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)141109-15-1Salt

Similar compounds

Methyl α-bromo-2-chlorobenzeneacetate85259-19-464 % similar 2-(2-Chlorophenyl)glycine141196-64-756 % similar (2S)-2-Amino-2-(2-chlorophenyl)acetic acid141315-50-656 % similar D-(+)-(2-Chlorophenyl)glycine86169-24-656 % similar 2-(2-Chlorophenyl)glycine88744-36-956 % similar H-Phg-ome hcl15028-39-455 % similar D-Phenylglycine methyl ester hydrochloride19883-41-155 % similar Methyl (alphaR)-alpha-amino-4-hydroxybenzeneacetate37763-23-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-L-phenylalanine103616-89-3 (S)-3-Amino-3-(4-chloro-phenyl)-propionic acid131690-60-3 (βR)-β-Amino-4-chlorobenzenepropanoic acid131690-61-4 (2R)-2-Amino-3-(4-chlorophenyl)propanoic acid14091-08-8 4-Chloro-L-phenylalanine14173-39-8 3-Amino-3-(4-chlorophenyl)propionic acid19947-39-8 2-Chloro-N-(4-methoxyphenyl)acetamide22303-36-2

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