4-aminobutanoic acid;N,N-dimethylmethanamine

C7H18N2O2 — CID 174320891

IUPAC4-aminobutanoic acid;N,N-dimethylmethanamine
SMILESCN(C)C.NCCCC(=O)O
InChIInChI=1S/C4H9NO2.C3H9N/c5-3-1-2-4(6)7;1-4(2)3/h1-3,5H2,(H,6,7);1-3H3
InChIKeyLFBHLHDYXVESFQ-UHFFFAOYSA-N
MW162.23 g/mol
LogP-0.01
Rot. Bonds3

About 4-aminobutanoic acid;N,N-dimethylmethanamine

4-aminobutanoic acid;N,N-dimethylmethanamine (PubChem CID 174320891) has the molecular formula C7H18N2O2 and a molecular weight of 162.23 g/mol. Its IUPAC name is 4-aminobutanoic acid;N,N-dimethylmethanamine.

Molecular Properties

Compound Name4-aminobutanoic acid;N,N-dimethylmethanamine
PubChem CID174320891
Molecular FormulaC7H18N2O2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC Name4-aminobutanoic acid;N,N-dimethylmethanamine
SMILESCN(C)C.NCCCC(=O)O
InChIInChI=1S/C4H9NO2.C3H9N/c5-3-1-2-4(6)7;1-4(2)3/h1-3,5H2,(H,6,7);1-3H3
InChIKeyLFBHLHDYXVESFQ-UHFFFAOYSA-N
XLogP-0.01
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-aminobutanoic acid;N,N-dimethylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Gamma-Aminobutyric Acid
CID 119
4-Trimethylammoniobutanoate
CID 134
4-(Methylamino)butyric acid
CID 70703
4-(Methylamino)butyric acid hydrochloride
CID 12626654
4-Amino(~2~H_6_)butanoic acid
CID 12405755
4-Amino(2,2-~2~H_2_)butanoic acid
CID 57685050
4-(~15~N)Aminobutanoic acid
CID 71310334
Isoputreanine
CID 171763
[(2R)-2-amino-3-carboxypropyl]trimethylazanium
CID 121831
3-Carboxypropylazanium
CID 449579
(2-Amino-3-carboxypropyl)-trimethylazanium
CID 5071775
4-(Propylamino)butanoic acid
CID 16769183

Frequently Asked Questions

What is the IUPAC name of 4-aminobutanoic acid;N,N-dimethylmethanamine?
The IUPAC name of 4-aminobutanoic acid;N,N-dimethylmethanamine (CID 174320891) is 4-aminobutanoic acid;N,N-dimethylmethanamine.
What is the SMILES notation for 4-aminobutanoic acid;N,N-dimethylmethanamine?
The canonical SMILES for 4-aminobutanoic acid;N,N-dimethylmethanamine is CN(C)C.NCCCC(=O)O.
What is the InChIKey of 4-aminobutanoic acid;N,N-dimethylmethanamine?
The InChIKey is LFBHLHDYXVESFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.C3H9N/c5-3-1-2-4(6)7;1-4(2)3/h1-3,5H2,(H,6,7);1-3H3.
What are the key properties of 4-aminobutanoic acid;N,N-dimethylmethanamine?
4-aminobutanoic acid;N,N-dimethylmethanamine has a molecular weight of 162.23 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutanoic acid;N,N-dimethylmethanamine is sourced from PubChem (CID 174320891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).