4-((3-Pyridinylcarbonyl)amino)butanoic acid
Properties
- Molecular formula
- C10H12N2O3
- Molar mass
- 208.22 g/mol
- Exact mass
- 208.0848 Da
- Melting point
- 210–211 °C (decomposes)
- logP
- 1.25Crippen estimate
- Polar surface area
- 82.8 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 5
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
34562-97-5SMILES
O=C(O)CCCN=C(O)c1cccnc1InChIKey
NAJVRARAUNYNDX-UHFFFAOYSA-NInChI
InChI=1S/C10H12N2O3/c13-9(14)4-2-6-12-10(15)8-3-1-5-11-7-8/h1,3,5,7H,2,4,6H2,(H,12,15)(H,13,14)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 4-[(3-Pyridinylcarbonyl)amino]butanoic acid
- Butanoic acid, 4-[(3-pyridinylcarbonyl)amino]-
- Butyric acid, 4-nicotinamido-
- Nicotinoyl-γ-aminobutyric acid
- Nicotinoyl-GABA
- N-Nicotinoyl-γ-aminobutyric acid
Work with 4-((3-Pyridinylcarbonyl)amino)butanoic acid
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.
Similar compounds
Nicotinuric acid583-08-471 % similar
N-(2-Hydroxyethyl)nicotinamide6265-73-262 % similar
Betamipron3440-28-657 % similar
N-(Hydroxymethyl)nicotinamide3569-99-157 % similar
Myosmine532-12-756 % similar
Nicorandil65141-46-053 % similar
3-Pyridinepropanoic acid3724-19-450 % similar
Nicaraven79455-30-449 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds