Leu-val

C₁₁H₂₂N₂O₃CAS 13588-95-9230.31 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Primary amine

Properties

Molecular formula: C₁₁H₂₂N₂O₃
Molar mass: 230.31 g/mol
Exact mass: 230.1630 Da
logP: 0.59Crippen estimate
Polar surface area: 92.4 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 6
Stereocentres: S, Sin SMILES atom order

Identifiers

CAS number

13588-95-9

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)N

InChIKey

MDSUKZSLOATHMH-IUCAKERBSA-N

InChI

InChI=1S/C11H22N2O3/c1-6(2)5-8(12)10(14)13-9(7(3)4)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1

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Names and synonyms

1 names

H-Leu-val-oh

Work with Leu-val

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

D-Leucine328-38-158 % similar Leucine61-90-558 % similar Gly-D-val10521-49-050 % similar L-Leucyl-L-leucine3303-31-947 % similar L-Leucyl-L-alanine7298-84-247 % similar Amastatin hydrochloride100938-10-147 % similar N-Methyl-L-valine2480-23-144 % similar (3S,4S)-4-(2-Methylpropyl)-3-pyrrolidinecarboxylic acid261896-40-641 % similar

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

Same formula

N-[[(1,1-Dimethylethyl)amino]carbonyl]-3-methyl-L-valine101968-85-8 1,1-Dimethylethyl (2R,5R)-5-(hydroxymethyl)-2-methyl-1-piperazinecarboxylate1403898-64-5

Elsewhere

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