chempirical

(S)-3-Amino-3-phenyl propionic acid methylester hcl

C10H14ClNO2CAS 144494-72-4215.68 g/mol

Open in Covalent MOL file
OOH2NHCl
EsterPrimary amine

Properties

Molecular formula
C10H14ClNO2
Molar mass
215.68 g/mol
Exact mass
215.0713 Da
logP
1.67Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
144494-72-4
SMILES
COC(=O)C[C@@H](C1=CC=CC=C1)N.Cl
InChIKey
GYKTZBZYSKZYDB-FVGYRXGTSA-N
InChI
InChI=1S/C10H13NO2.ClH/c1-13-10(12)7-9(11)8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/m0./s1

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Names and synonyms

1 names
  • Methyl (S)-3-phenyl-beta-alaninate hydrochloride

Work with (S)-3-Amino-3-phenyl propionic acid methylester hcl

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

Similar compounds

(S)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride167834-24-470 % similar (3R)-3-Amino-3-phenylpropanoic acid hydrochloride83649-48-357 % similar D-Phenylglycine methyl ester hydrochloride19883-41-154 % similar (+)-3-Amino-3-phenylpropanoic acid13921-90-950 % similar L-Aspartic acid β-methyl ester hydrochloride16856-13-650 % similar (-)-3-Amino-3-phenylpropanoic acid40856-44-850 % similar Dimethyl aspartate hydrochloride32213-95-949 % similar Methyl phenylacetate101-41-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(S)-2-Amino-4-phenylbutanoic acid hydrochloride105382-09-0 Methyl (R)-phenylalaninate hydrochloride13033-84-6 (S)-3-Amino-4-phenylbutyric acid hydrochloride138165-77-2 (3R)-3-Amino-4-phenylbutanoic acid hydrochloride145149-50-4 Ethyl D-phenylglycinate hydrochloride17609-48-2 Alanine benzyl ester hydrochloride5557-83-5 (±)-Phenylalanine methyl ester hydrochloride5619-07-8 Methyl L-phenylalaninate hydrochloride7524-50-7

Elsewhere

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