chempirical

(αR)-α-(Acetylamino)-2-naphthalenepropanoic acid

C15H15NO3CAS 37440-01-0257.29 g/mol

Open in Covalent MOL file
ONHOHO
Carboxylic acid

Properties

Molecular formula
C15H15NO3
Molar mass
257.29 g/mol
Exact mass
257.1052 Da
logP
2.81Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
37440-01-0
SMILES
CC(O)=N[C@H](Cc1ccc2ccccc2c1)C(=O)O
InChIKey
HGTIILKZSFKZMS-CQSZACIVSA-N
InChI
InChI=1S/C15H15NO3/c1-10(17)16-14(15(18)19)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,14H,9H2,1H3,(H,16,17)(H,18,19)/t14-/m1/s1

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

Names and synonyms

6 names
  • 2-Naphthalenepropanoic acid, α-(acetylamino)-, (αR)-
  • 2-Naphthalenepropanoic acid, α-(acetylamino)-, (R)-
  • (R)-2-Acetylamino-3-(2-naphthyl)propanoic acid
  • (r)-2-Acetamido-3-(naphthalen-2-yl)propanoic acid
  • (2R)-2-Acetamido-3-naphthalen-2-ylpropanoic acid
  • (R)-2-Acetamido-3-(naphthalen-2-yl)propanoicacid

Work with (αR)-α-(Acetylamino)-2-naphthalenepropanoic 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

Similar compounds

(-)-N-Acetylphenylalanine10172-89-171 % similar N-Acetyl-L-phenylalanine2018-61-371 % similar N-Acetyl-dl-phenylalanine2901-75-971 % similar N-Acetyl-3-fluorophenylalanine17607-28-266 % similar N-Acetyl-dl-tyrosine2901-77-166 % similar N-Acetyl-L-tyrosine537-55-366 % similar (αR)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-naphthalenepropanoic acid76985-10-965 % similar N-Acetyl-4-fluorophenylalanine17481-06-063 % similar

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

Same formula

Tolmetin26171-23-3

Elsewhere

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