chempirical

Leucine P-nitroanilide

C12H17N3O3CAS 4178-93-2251.29 g/mol

Open in Covalent MOL file
H2NOHNN+OO−
AmideNitroPrimary amine

Properties

Molecular formula
C12H17N3O3
Molar mass
251.29 g/mol
Exact mass
251.1270 Da
Melting point
88 °C
logP
1.91Crippen estimate
Polar surface area
98.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
4178-93-2
SMILES
CC(C)C[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIKey
AXZJHDNQDSVIDR-NSHDSACASA-N
InChI
InChI=1S/C12H17N3O3/c1-8(2)7-11(13)12(16)14-9-3-5-10(6-4-9)15(17)18/h3-6,8,11H,7,13H2,1-2H3,(H,14,16)/t11-/m0/s1

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

Names and synonyms

9 names
  • Pentanamide, 2-amino-4-methyl-N-(4-nitrophenyl)-, (2S)-
  • Valeranilide, 2-amino-4-methyl-4′-nitro-, L-
  • Pentanamide, 2-amino-4-methyl-N-(4-nitrophenyl)-, (S)-
  • (2S)-2-Amino-4-methyl-N-(4-nitrophenyl)pentanamide
  • L-Leucine p-nitroanilide
  • N-L-Leucyl-p-nitroanilide
  • L-Leucyl-p-nitroanilide
  • N-α-L-Leucine p-nitroanilide
  • L-Leucyl-4-nitroanilide

Work with Leucine P-nitroanilide

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

L-Alanine-4-nitroanilide hydrochloride31796-55-166 % similar γ-Glutamyl-P-nitroanilide7300-59-651 % similar 4,4′-Dinitrocarbanilide587-90-650 % similar N-(4-Nitrophenyl)thiourea3696-22-846 % similar Methyl 4-nitro-L-phenylalaninate hydrochloride17193-40-745 % similar 4-Nitro-dl-phenylalanine2922-40-944 % similar P-Nitro-D-phenylalanine56613-61-744 % similar P-Nitrophenylalanine949-99-544 % similar

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

Same formula

3,3′,3′′-[1,2,3-Propanetriyltris(oxy)]tris[propanenitrile]2465-93-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook