chempirical

N-Acetyl-D-leucine

C8H15NO3CAS 19764-30-8173.21 g/mol

Open in Covalent MOL file
OHONHO
AmideCarboxylic acid

Properties

Molecular formula
C8H15NO3
Molar mass
173.21 g/mol
Exact mass
173.1052 Da
logP
0.62Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
19764-30-8
SMILES
CC(C)C[C@H](C(=O)O)NC(=O)C
InChIKey
WXNXCEHXYPACJF-SSDOTTSWSA-N
InChI
InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m1/s1

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Work with N-Acetyl-D-leucine

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

(S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid117833-18-851 % similar L-Leucic acid13748-90-847 % similar 2-Hydroxyisocaproic acid498-36-247 % similar D-Leucine328-38-146 % similar Leucine61-90-546 % similar (2R)-2-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid114360-54-245 % similar (3S,4S)-4-(2-Methylpropyl)-3-pyrrolidinecarboxylic acid261896-40-644 % similar Acetylleucine99-15-044 % similar

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

Same formula

N-Acetyl-L-leucine1188-21-2 N-Boc-(methylamino)acetaldehyde123387-72-4 1-N-Boc-3-hydroxyazetidine141699-55-0 (3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta(d)(1,3)dioxol-4-ol155899-66-4 tert-Butyl N-(2-oxopropyl)carbamate170384-29-9 N-Acetyl-L-isoleucine3077-46-1 Methyl 3-morpholinopropionate33611-43-7 Acexamic acid57-08-9

Elsewhere

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