chempirical

(αR)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-naphthalenepropanoic acid

C18H21NO4CAS 76985-10-9315.37 g/mol

Open in Covalent MOL file
OONHOHO
Carboxylic acid

Properties

Molecular formula
C18H21NO4
Molar mass
315.37 g/mol
Exact mass
315.1471 Da
Melting point
91–93 °C
logP
3.56Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
76985-10-9
SMILES
CC(C)(C)OC(O)=N[C@H](Cc1ccc2ccccc2c1)C(=O)O
InChIKey
URKWHOVNPHQQTM-OAHLLOKOSA-N
InChI
InChI=1S/C18H21NO4/c1-18(2,3)23-17(22)19-15(16(20)21)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10,15H,11H2,1-3H3,(H,19,22)(H,20,21)/t15-/m1/s1

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Names and synonyms

7 names
  • 2-Naphthalenepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αR)-
  • 2-Naphthalenepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)-
  • BOC-(2-naphthyl)-D-alanine
  • N-(tert-Butoxycarbonyl)-3-(2-naphthyl)-D-alanine
  • (R)-2-[(tert-Butoxycarbonyl)amino]-3-(naphthalen-2-yl)propionic acid
  • (2R)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoic acid
  • 2-Naphthalenepropanoic acid α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αR)-

Work with (αR)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-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-tert-Butoxycarbonyl-D-phenylalanine18942-49-975 % similar Boc-L-tyrosine3978-80-170 % similar N-[(1,1-Dimethylethoxy)carbonyl]-3-fluoro-L-phenylalanine114873-01-770 % similar 3-Chloro-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine114873-03-970 % similar N-[(1,1-Dimethylethoxy)carbonyl]-3-fluoro-D-phenylalanine114873-11-970 % similar 3,4-Dichloro-N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanine114873-13-170 % similar N-[(1,1-Dimethylethoxy)carbonyl]-3,4-difluoro-D-phenylalanine205445-51-870 % similar 4-Cyano-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine131724-45-369 % similar

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

Same formula

Cephalotaxine24316-19-6

Elsewhere

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