4-aminobutanoic acid

C4H9NO2 — CID 119

💊View drug profile → aminobutyric acid
IUPAC4-aminobutanoic acid
SMILESNCCCC(=O)O
InChIInChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChIKeyBTCSSZJGUNDROE-UHFFFAOYSA-N
MW103.12 g/mol
LogP-0.19
Rot. Bonds3

About 4-aminobutanoic acid

4-aminobutanoic acid (PubChem CID 119) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is 4-aminobutanoic acid.

Molecular Properties

Compound Name4-aminobutanoic acid
PubChem CID119
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name4-aminobutanoic acid
SMILESNCCCC(=O)O
InChIInChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChIKeyBTCSSZJGUNDROE-UHFFFAOYSA-N
XLogP-0.19
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Diaminobutyric acid
CID 470
L-2,4-Diaminobutyric acid
CID 134490
4-Ammoniobutanoate
CID 6992099
4-Aminobutyric Acid
CID 223130
gamma-Aminobutyrate
CID 5460232
4-(Methylamino)butyric acid
CID 70703
gamma-Aminobutyric acid hydrochloride
CID 210329
4-Aminovaleric acid, (R)-
CID 444458
(4S)-4-Aminopentanoic acid
CID 5312968
2,4-Diaminobutyric acid, D-
CID 638153
4-(Methylamino)butyric acid hydrochloride
CID 12626654
4-Amino-3-methylbutanoic acid
CID 3539719

Frequently Asked Questions

What is the IUPAC name of 4-aminobutanoic acid?
The IUPAC name of 4-aminobutanoic acid (CID 119) is 4-aminobutanoic acid.
What is the SMILES notation for 4-aminobutanoic acid?
The canonical SMILES for 4-aminobutanoic acid is NCCCC(=O)O.
What is the InChIKey of 4-aminobutanoic acid?
The InChIKey is BTCSSZJGUNDROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7).
What are the key properties of 4-aminobutanoic acid?
4-aminobutanoic acid has a molecular weight of 103.12 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutanoic acid is sourced from PubChem (CID 119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).