acetyl-DL-leucine

HCID 1995CAS 1188-21-2
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)NC(CC(C)C)C(=O)O
InChIKey
WXNXCEHXYPACJF-UHFFFAOYSA-N
Molecular formula
C8H15NO3
Average molar mass
173.21 g/mol
Monoisotopic mass
173.10519334

Overview

N-acetyl-leucine is a N-acetyl-amino acid and a leucine derivative.

Names & identifiers

Preferred name
acetyl-DL-leucine
IUPAC
2-acetamido-4-methylpentanoic acid

Names & synonyms

N-Acetyl-DL-leucineAcetylleucine99-15-02-acetamido-4-methylpentanoic acidAcetileucinaAcetyl-DL-leucineAcetylleucinumAcetylleucine, dl-NSC-122020K76S41V71XNSC-758152RefChem:109167
Show more names
N07CA04202-734-9Ac-DL-Leu-OHTanganilAcetylleucine [INN](R,S)-N-AcetylleucinAcetyl DL-leucineL-Leucine, N-acetyl-

Database identifiers

CAS
1188-21-2、99-15-0
PubChem CID
1995
DTXSID
DTXSID40859594
ChEMBL
CHEMBL1875805
ChEBI
CHEBI:166830
UNII
K76S41V71X
EC Number
202-734-9
Nikkaji
J23.190H

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
66.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
12

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 60% (3 of 5) of all reports.

Danger

H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]

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, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (20%)

Chemistry & industry

Pharmacology

ATC Code · 2 items

N - Nervous system

QN - Nervous system

Related reactions

10 records
New reaction record

Linked notes

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