chempirical

N-[[(1,1-Dimethylethyl)amino]carbonyl]-3-methyl-L-valine

C11H22N2O3CAS 101968-85-8230.31 g/mol

Open in Covalent MOL file
NHONHOHO
Carboxylic acid

Properties

Molecular formula
C11H22N2O3
Molar mass
230.31 g/mol
Exact mass
230.1630 Da
logP
1.79Crippen estimate
Polar surface area
81.9 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
101968-85-8
SMILES
CC(C)(C)NC(O)=N[C@H](C(=O)O)C(C)(C)C
InChIKey
RAAPXVRHYBAJQU-SSDOTTSWSA-N
InChI
InChI=1S/C11H22N2O3/c1-10(2,3)7(8(14)15)12-9(16)13-11(4,5)6/h7H,1-6H3,(H,14,15)(H2,12,13,16)/t7-/m1/s1

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Names and synonyms

4 names
  • L-Valine, N-[[(1,1-dimethylethyl)amino]carbonyl]-3-methyl-
  • N-tert-Butylcarbamoyl-L-tert-leucine
  • (2S)-2-(tert-Butylaminocarbonylamino)-3,3-dimethylbutanoic acid
  • (S)-2-(3-tert-Butylureido)-3,3-dimethylbutanoic acid

Work with N-[[(1,1-Dimethylethyl)amino]carbonyl]-3-methyl-L-valine

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-(Methoxycarbonyl)-3-methyl-L-valine162537-11-351 % similar N-tert-Butoxycarbonyl-L-tert-leucine62965-35-950 % similar L-tert-Leucine20859-02-338 % similar D-tert-Leucine26782-71-838 % similar tert-Leucine33105-81-638 % similar Boc-D-alpha-T-butylglycine124655-17-036 % similar Boceprevir394730-60-035 % similar 4-tert-Butylcyclohexanecarboxylic acid5451-55-835 % similar

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

Same formula

Leu-val13588-95-9 1,1-Dimethylethyl (2R,5R)-5-(hydroxymethyl)-2-methyl-1-piperazinecarboxylate1403898-64-5

Elsewhere

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