chempirical

N-Acetyl-L-leucine

C8H15NO3CAS 1188-21-2173.21 g/mol

Open in Covalent MOL file
ONHOHO
Carboxylic acid

Properties

Molecular formula
C8H15NO3
Molar mass
173.21 g/mol
Exact mass
173.1052 Da
Melting point
189–190 °C
logP
1.46Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 37 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1188-21-2
SMILES
CC(O)=N[C@@H](CC(C)C)C(=O)O
InChIKey
WXNXCEHXYPACJF-ZETCQYMHSA-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-/m0/s1

Weigh it out

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

Names and synonyms

10 names
  • L-Leucine, N-acetyl-
  • Leucine, N-acetyl-, L-
  • N-Acetylleucine
  • Acetyl-L-leucine
  • N-Acetyl-L-(-)-leucine
  • Acetylleucine
  • NSC 206316
  • (S)-2-Acetamido-4-methylpentanoic acid
  • (-)-N-Acetyl-L-leucine
  • (2S)-2-Acetamido-4-methylpentanoic acid

Work with N-Acetyl-L-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N-Acetyl-D-leucine19764-30-8Enantiomer Acetylleucine99-15-0Stereo not defined (S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethylamine N-acetyl-L-leucine salt608141-43-1Salt R-Tetrahydropapaverine N-acetyl-L-leucinate141109-12-8Salt

Similar compounds

2-(Acetylamino)butanoic acid7211-57-666 % similar N-Acetyl-DL-serine97-14-364 % similar N,N′-Diacetyl-L-cystine5545-17-562 % similar N-Acetyl-L-cysteine616-91-162 % similar N-Acetylaspartic acid2545-40-660 % similar N-Acetyl-L-aspartic acid997-55-760 % similar N-(2-Chloroacetyl)-L-leucine688-12-059 % similar Glycylleucine688-14-259 % similar

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

Same formula

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 6-Acetylaminocaproic acid57-08-9

Elsewhere

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