2-Naphthylalanine

C₁₃H₁₃NO₂CAS 58438-03-2215.25 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₁₃H₁₃NO₂
Molar mass: 215.25 g/mol
Exact mass: 215.0946 Da
Melting point: 262 °C
logP: 1.79Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

58438-03-2

SMILES

N[C@@H](Cc1ccc2ccccc2c1)C(=O)O

InChIKey

JPZXHKDZASGCLU-LBPRGKRZSA-N

InChI

InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1

Weigh it out

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

Names and synonyms

12 names

2-Naphthalenepropanoic acid, α-amino-, (αS)-
2-Naphthalenepropanoic acid, α-amino-, (S)-
(αS)-α-Amino-2-naphthalenepropanoic acid
3-(2-Naphthyl)-L-alanine
L-3-(2-Naphthyl)alanine
(S)-3-(2-Naphthyl)alanine
β-2-Naphthyl-L-alanine
L-β-(2-Naphthyl)alanine
(S)-2-Amino-3-(naphthalen-2-yl)propanoic acid
(2S)-2-Amino-3-(naphthalen-2-yl)propanoic acid
(2S)-2-Azaniumyl-3-naphthalen-2-ylpropanoate
2-Naphthalenepropanoic acid α-amino-, (αS)-

Work with 2-Naphthylalanine

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

(2S)-2-Amino-3-(naphthalen-2-yl)propanoic acid hydrochloride122745-12-492 % similar Phenylalanine63-91-267 % similar D-Phenylalanine673-06-367 % similar D-Dopa5796-17-863 % similar L-M-Tyrosine587-33-763 % similar Dopa59-92-763 % similar Dl-dopa63-84-363 % similar Dl-M-tyrosine775-06-463 % similar

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

Same formula

Alpha-Amino-2-naphthalenepropanoic acid14108-60-2 4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid15898-26-7 D-3-(2-Naphthyl)alanine76985-09-6

Elsewhere

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