Phenylalanine

C9H11NO2CAS 63-91-2165.19 g/mol

Open in Covalent MOL file
H2NOOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C9H11NO2
Molar mass
165.19 g/mol
Exact mass
165.0790 Da
Density
1.24 g/mL
Melting point
283 °C (decomposes)
pKa
1.24, 1.83, 2.2, 9.13
Water solubility
10–50 g/L (25 °C)
logP
0.64Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 344 ECHA notifiers. Aggregated from 344 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
63-91-2
SMILES
N[C@@H](Cc1ccccc1)C(=O)O
InChIKey
COLNVLDHVKWLRT-QMMMGPOBSA-N
InChI
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1

Weigh it out

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

Names and synonyms

21 names · show all
  • L-Phenylalanine
  • Alanine, phenyl-, L-
  • (S)-α-Aminohydrocinnamic acid
  • (S)-α-Amino-β-phenylpropionic acid
  • β-Phenyl-L-alanine
  • β-Phenyl-α-alanine
  • Antibiotic FN 1636
  • Benzenepropanoic acid, α-amino-, (S)-
  • Phenyl-α-alanine
  • 3-Phenyl-L-alanine
  • 3-Phenylalanine
  • (S)-Phenylalanine
  • (S)-α-Aminobenzenepropanoic acid
  • (S)-2-Amino-3-phenylpropionic acid
  • L-Alanine, 3-phenyl-
  • (S)-2-Amino-3-phenylpropanoic acid
  • (S)-(-)-Phenylalanine
  • (-)-Phenylalanine
  • L-(-)-Phenylalanine
  • NSC 79477
  • (2S)-2-Amino-3-phenylpropanoic acid

Work with Phenylalanine

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-Phenylalanine673-06-3Enantiomer DL-Phenylalanine150-30-1Stereo not defined

Similar compounds

L-4,4'-Biphenylalanine155760-02-481 % similar D-4,4'-Biphenylalanine170080-13-481 % similar L-4-Benzoylphenylalanine104504-45-274 % similar O-Benzyl-L-tyrosine16652-64-573 % similar Dl-homophenylalanine1012-05-172 % similar D-Tyrosine556-02-572 % similar DL-Tyrosine556-03-672 % similar Tyrosine60-18-472 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl N-phenylcarbamate101-99-5 Metolcarb1129-41-5 2-Amino-2-(4-methylphenyl)acetic acid13227-01-5 (+)-3-Amino-3-phenylpropanoic acid13921-90-9 2-Amino-3,5-dimethylbenzoic acid14438-32-5 1,3-Benzodioxole-5-ethanamine1484-85-1 4-Acetaminobenzyl alcohol16375-88-5

Elsewhere

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