2-Amino-5-phenyl-(2s)-4-pentenoic acid

C₁₁H₁₃NO₂CAS 267650-37-3191.23 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Primary amine

Properties

Molecular formula: C₁₁H₁₃NO₂
Molar mass: 191.23 g/mol
Exact mass: 191.0946 Da
logP: 1.50Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H317 May cause an allergic skin reaction100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H400 Very toxic to aquatic life100% of notifiers

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

Precautionary statements

P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number

267650-37-3

SMILES

C1=CC=C(C=C1)/C=C/C[C@@H](C(=O)O)N

InChIKey

MCGSKGBMVBECNS-QBBOHKLWSA-N

InChI

InChI=1S/C11H13NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-7,10H,8,12H2,(H,13,14)/b7-4+/t10-/m0/s1

Weigh it out

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

Names and synonyms

1 names

L-Styrylalanine

Work with 2-Amino-5-phenyl-(2s)-4-pentenoic acid

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.

(R)-2-Amino-5-phenylpent-4-enoic acid264903-53-9Enantiomer

Similar compounds

DL-Phenylalanine150-30-155 % similar Phenylalanine63-91-255 % similar D-Phenylalanine673-06-355 % similar Dl-homophenylalanine1012-05-154 % similar D-Homophenylalanine82795-51-554 % similar L-Homophenylalanine943-73-754 % similar Beta-Phenylcysteine34317-61-851 % similar (S)-2-Amino-4-phenylbutanoic acid hydrochloride105382-09-050 % similar

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

Same formula

(1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetic acid105400-81-5 (3R)-3-Phenyl-L-proline118758-48-8 4-Morpholinobenzaldehyde1204-86-0 4-Formyl-N-(1-methylethyl)benzamide13255-50-0 4-(Dimethylamino)cinnamic acid1552-96-1 4-(1-Pyrrolidinyl)benzoic acid22090-27-3 N-(4-Methylphenyl)-3-oxobutanamide2415-85-2

Elsewhere

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