2-Naphthylalanine

C13H13NO2CAS 58438-03-2215.25 g/mol

Open in Covalent MOL file
H2NOOH
Carboxylic acidPrimary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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-3-(2-Naphthyl)alanine76985-09-6Enantiomer Alpha-Amino-2-naphthalenepropanoic acid14108-60-2Stereo not defined (2S)-2-Amino-3-(naphthalen-2-yl)propanoic acid hydrochloride122745-12-4Salt

Similar compounds

DL-Phenylalanine150-30-167 % similar Phenylalanine63-91-267 % similar D-Phenylalanine673-06-367 % similar L-4,4'-Biphenylalanine155760-02-464 % similar D-4,4'-Biphenylalanine170080-13-464 % similar D-Dopa5796-17-863 % similar L-M-Tyrosine587-33-763 % similar DOPA59-92-763 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid15898-26-7 Dl-3-(1-naphthyl)alanine28095-56-9 L-1-Naphthylalanine55516-54-6 Ethyl 2-(quinolin-6-yl)acetate5622-38-8 D-1-Naphthylalanine78306-92-0 Ethyl2-methylquinoline-6-carboxylate855763-77-8

Elsewhere

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