chempirical

Acetylleucine

C8H15NO3CAS 99-15-0173.21 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
159–160 °C
logP
1.46Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 5 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
99-15-0
SMILES
CC(O)=NC(CC(C)C)C(=O)O
InChIKey
WXNXCEHXYPACJF-UHFFFAOYSA-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)

Weigh it out

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

Names and synonyms

10 names
  • Leucine, N-acetyl-
  • Leucine, N-acetyl-, DL-
  • DL-Leucine, N-acetyl-
  • N-Acetylleucine
  • N-Acetyl-DL-leucine
  • Acetyl-DL-leucine
  • NSC 122020
  • 2-Acetamido-4-methylpentanoic acid
  • Tanganil
  • 2-[(1-Hydroxyethylidene)amino]-4-methylpentanoic acid

Work with Acetylleucine

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-L-leucine1188-21-2Defined stereoisomer N-Acetyl-D-leucine19764-30-8Defined stereoisomer (S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethylamine N-acetyl-L-leucine salt608141-43-1Salt, defined stereoisomer R-Tetrahydropapaverine N-acetyl-L-leucinate141109-12-8Salt, defined stereoisomer

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

Elsewhere

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