L-Homophenylalanine

C10H13NO2CAS 943-73-7179.22 g/mol

Open in Covalent MOL file
H2NOHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C10H13NO2
Molar mass
179.22 g/mol
Exact mass
179.0946 Da
Melting point
286–290 °C
logP
1.03Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
943-73-7
SMILES
N[C@@H](CCc1ccccc1)C(=O)O
InChIKey
JTTHKOPSMAVJFE-VIFPVBQESA-N
InChI
InChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1

Weigh it out

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

Names and synonyms

14 names · show all
  • Benzenebutanoic acid, α-amino-, (αS)-
  • Butyric acid, 2-amino-4-phenyl-, L-
  • Benzenebutanoic acid, α-amino-, (S)-
  • (αS)-α-Aminobenzenebutanoic acid
  • L-Benzylalanine
  • L-2-Amino-4-phenylbutyric acid
  • L-γ-Phenylbutyrine
  • (+)-Homophenylalanine
  • (+)-(S)-Homophenylalanine
  • (S)-Homophenylalanine
  • (+)-L-Homophenylalanine
  • (2S)-2-Amino-4-phenylbutanoic acid
  • (2S)-2-Azaniumyl-4-phenylbutanoate
  • (S)-2-Amino-4-phenylbutanoic acid

Work with L-Homophenylalanine

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.

D-Homophenylalanine82795-51-5Enantiomer Dl-homophenylalanine1012-05-1Stereo not defined (S)-2-Amino-4-phenylbutanoic acid hydrochloride105382-09-0Salt

Similar compounds

DL-Phenylalanine150-30-172 % similar Phenylalanine63-91-272 % similar D-Phenylalanine673-06-372 % similar γ-Benzyl L-glutamate1676-73-963 % similar 5-(Phenylmethyl) hydrogen D-glutamate2578-33-863 % similar O-(Phenylmethyl)-D-serine10433-52-062 % similar H-D-Cys(bzl)-oh23032-53-362 % similar S-Benzyl-L-cysteine3054-01-162 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl N,N-dimethylanthranilate10072-05-6 Phenibut1078-21-3 DL-α-Methylphenylalanine1132-26-9 3-Methylphenylalanine114926-37-3 3-Methyl-D-phenylalanine114926-39-5 4-[(2-Hydroxyethyl)(methyl)amino]benzaldehyde1201-91-8 Propham122-42-9

Elsewhere

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