4-aminobutanoic acid;methane

C5H13NO2 — CID 175821384

IUPAC4-aminobutanoic acid;methane
SMILESC.NCCCC(=O)O
InChIInChI=1S/C4H9NO2.CH4/c5-3-1-2-4(6)7;/h1-3,5H2,(H,6,7);1H4
InChIKeyJIRGRFLZVRBXHT-UHFFFAOYSA-N
MW119.16 g/mol
LogP0.45
Rot. Bonds3

About 4-aminobutanoic acid;methane

4-aminobutanoic acid;methane (PubChem CID 175821384) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is 4-aminobutanoic acid;methane.

Molecular Properties

Compound Name4-aminobutanoic acid;methane
PubChem CID175821384
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name4-aminobutanoic acid;methane
SMILESC.NCCCC(=O)O
InChIInChI=1S/C4H9NO2.CH4/c5-3-1-2-4(6)7;/h1-3,5H2,(H,6,7);1H4
InChIKeyJIRGRFLZVRBXHT-UHFFFAOYSA-N
XLogP0.45
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Gamma-Aminobutyric Acid
CID 119
4-Ammoniobutanoate
CID 6992099
4-Aminobutyric Acid
CID 223130
Methyl 4-aminobutanoate
CID 18614
gamma-Aminobutyrate
CID 5460232
4-Amino-3,3-dimethylbutanoic acid hydrochloride
CID 14435435
4-(Methylamino)butyric acid
CID 70703
gamma-Aminobutyric acid hydrochloride
CID 210329
4-Aminovaleric acid, (R)-
CID 444458
(4S)-4-Aminopentanoic acid
CID 5312968
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;methane?
The IUPAC name of 4-aminobutanoic acid;methane (CID 175821384) is 4-aminobutanoic acid;methane.
What is the SMILES notation for 4-aminobutanoic acid;methane?
The canonical SMILES for 4-aminobutanoic acid;methane is C.NCCCC(=O)O.
What is the InChIKey of 4-aminobutanoic acid;methane?
The InChIKey is JIRGRFLZVRBXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.CH4/c5-3-1-2-4(6)7;/h1-3,5H2,(H,6,7);1H4.
What are the key properties of 4-aminobutanoic acid;methane?
4-aminobutanoic acid;methane has a molecular weight of 119.16 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutanoic acid;methane is sourced from PubChem (CID 175821384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).