L-2,4-Diaminobutyric acid

HCID 134490

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Basic information

CAS: 1758-80-1
Standard SMILES: NCC[C@H](N)C(=O)O
InChIKey: OGNSCSPNOLGXSM-VKHMYHEASA-N
Molecular formula: C4H10N2O2
Average molar mass: 118.13 g/mol

Overview

L-2,4-diaminobutyric acid is a 2,4-diaminobutyric acid that has S-configuration. It has a role as a plant metabolite. It is functionally related to a butyric acid. It is a conjugate base of a L-2,4-diazaniumylbutyrate. It is a conjugate acid of a L-2,4-diaminobutyrate. It is an enantiomer of a D-2,4-diaminobutyric acid.

Names & identifiers

Preferred name: L-2,4-Diaminobutyric acid
IUPAC: (2S)-2,4-diaminobutanoic acid

Names & synonyms

1758-80-1L-2,4-diaminobutyric acid(2S)-2,4-diaminobutanoic acid(S)-2,4-Diaminobutanoic acidL-diaminobutyric acidL-DbuL-2,4-diaminobutanoic acidButanoic acid, 2,4-diamino-, (S)-61HPH2F0W7CHEBI:489502,4-DIAMINOBUTYRIC ACID, L-DTXSID20938710

Show more names

RefChem:7944022,4-diaminobutyric acid, (S)-DTXCID801367231112-431-2L-DABAButanoic acid, 2,4-diamino-, (2S)-L-2,4-DiaminobutanoateH-Dab-OH

Database identifiers

CAS: 1758-80-1
PubChem CID: 134490
ChEMBL: CHEMBL321357
ChEBI: CHEBI:48950
UNII: 61HPH2F0W7
EC Number: 112-431-2
Nikkaji: J80.310C

Properties

Computed structural propertiesFilling in

XLogP: -4.6
Topological polar surface area: 89.3 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 84.1

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Physical DescriptionSolid

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.