2-(Acetylamino)butanoic acid

HCID 306107CAS 34271-27-7

Substructure search Find similar structures

Basic information

Standard SMILES: CCC(NC(C)=O)C(=O)O
InChIKey: WZVZUKROCHDMDT-UHFFFAOYSA-N
Molecular formula: C6H11NO3
Average molar mass: 145.16 g/mol

Overview

2-acetamidobutanoic acid is a N-acyl-amino acid.

Names & identifiers

Preferred name: 2-(Acetylamino)butanoic acid
IUPAC: 2-acetamidobutanoic acid
English name: N-ACETYL-DL-2-AMINO-N-BUTYRIC ACID
Molecular formula: C6H11NO3
Molecular weight: 145.16

Names & synonyms

2-(Acetylamino)butanoic acidRefChem:4594262-acetamidobutanoic acid7211-57-6Ac-DL-Abu-OH(+/-)-2-Acetylaminobutanoic Acid114285-09-57682-14-6N-ACETYL-DL-2-AMINO-N-BUTYRIC ACIDButanoic acid, 2-(acetylamino)-34271-24-4MFCD00020430

Show more names

AC-DL-2-ABU-OHACETYL-DL-BUTYRINAC-DL-2-AMINOBUTANOIC ACID2-ACETAMIDO-N-BUTYRIC ACIDAC-DL-ALPHA-AMINOBUTYRIC ACIDN-ALPHA-ACETYL-DL-2-AMINOBUTYRIC ACID

N-Acetyl-DL-2-aminobutyric AcidSCHEMBL1704966(-2-Acetylaminobutanoic Acid-d3N-Acetyl-DL-2-amino-butyric acidNSC205007NSC206247NSC-205007NSC-206247

Database identifiers

CAS: 34271-27-7、7211-57-6、7682-14-6
PubChem CID: 306107
DTXSID: DTXSID00992835
ChEBI: CHEBI:233193
EC Number: 634-722-8
Nikkaji: J125.808G

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 144

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.