chempirical

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. Search the SDS library

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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Type any one amount. The others follow from the molar mass.

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 (αR)-α-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

Elsewhere

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