D-1-Naphthylalanine

C13H13NO2CAS 78306-92-0215.25 g/mol

Open in Covalent MOL file
OHONH2
Carboxylic acidPrimary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
78306-92-0
SMILES
C1=CC=C2C(=C1)C=CC=C2C[C@H](C(=O)O)N
InChIKey
OFYAYGJCPXRNBL-GFCCVEGCSA-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-/m1/s1

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Names and synonyms

1 names
  • 3-(1-Naphthyl)-D-alanine

Work with D-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.

L-1-Naphthylalanine55516-54-6Enantiomer 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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