(S)-2-Amino-4-phenylbutanoic acid hydrochloride

C10H14ClNO2CAS 105382-09-0215.68 g/mol

Open in Covalent MOL file
OOHNH2HCl
Carboxylic acidPrimary amine

Properties

Molecular formula
C10H14ClNO2
Molar mass
215.68 g/mol
Exact mass
215.0713 Da
logP
1.45Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4
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
105382-09-0
SMILES
C1=CC=C(C=C1)CC[C@@H](C(=O)O)N.Cl
InChIKey
CHBMONIBOQCTCF-FVGYRXGTSA-N
InChI
InChI=1S/C10H13NO2.ClH/c11-9(10(12)13)7-6-8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2,(H,12,13);1H/t9-;/m0./s1

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

Names and synonyms

1 names
  • L-Homophenylalanine hydrochloride

Work with (S)-2-Amino-4-phenylbutanoic acid hydrochloride

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.

L-Homophenylalanine943-73-7Free base Dl-homophenylalanine1012-05-1Free base, stereo not defined D-Homophenylalanine82795-51-5Free base, enantiomer

Similar compounds

DL-Phenylalanine150-30-166 % similar Phenylalanine63-91-266 % similar D-Phenylalanine673-06-366 % similar γ-Benzyl L-glutamate1676-73-958 % similar 5-(Phenylmethyl) hydrogen D-glutamate2578-33-858 % similar O-(Phenylmethyl)-D-serine10433-52-057 % similar H-D-Cys(bzl)-oh23032-53-357 % similar S-Benzyl-L-cysteine3054-01-157 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl (R)-phenylalaninate hydrochloride13033-84-6 (S)-3-Amino-4-phenylbutyric acid hydrochloride138165-77-2 (S)-3-Amino-3-phenyl propionic acid methylester hcl144494-72-4 (3R)-3-Amino-4-phenylbutanoic acid hydrochloride145149-50-4 Ethyl D-phenylglycinate hydrochloride17609-48-2 4-Amino-3-phenylbutyric acid hydrochloride3060-41-1 Alanine benzyl ester hydrochloride5557-83-5 Methyl 3-phenyl-DL-alaninate hydrochloride5619-07-8

Elsewhere

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