L-1-Naphthylalanine

C₁₃H₁₃NO₂CAS 55516-54-6215.25 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
logP: 1.79Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

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

55516-54-6

SMILES

C1=CC=C2C(=C1)C=CC=C2C[C@@H](C(=O)O)N

InChIKey

OFYAYGJCPXRNBL-LBPRGKRZSA-N

InChI

InChI=1S/C13H13NO2/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10/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

1 names

1-Naphthyl-L-alanine

Work with L-1-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-1-Naphthylalanine78306-92-0Enantiomer Dl-3-(1-naphthyl)alanine28095-56-9Stereo not defined

Similar compounds

2-Chloro-L-phenylalanine103616-89-368 % similar 2-Chloro-D-phenylalanine80126-50-768 % similar (±)-O-Tyrosine2370-61-866 % similar (2R)-2-Amino-3-(2-bromophenyl)propanoic acid267225-27-466 % similar 2-Bromophenylalanine42538-40-966 % similar 2-Fluoro-L-phenylalanine19883-78-464 % similar Dl-2'-methylphenylalanine hydrochloride22888-51-364 % similar DL-2-Fluorophenylalanine2629-55-264 % 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 Ethyl 2-(quinolin-6-yl)acetate5622-38-8 2-Naphthylalanine58438-03-2 D-3-(2-Naphthyl)alanine76985-09-6 Ethyl2-methylquinoline-6-carboxylate855763-77-8

Elsewhere

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