3-amino-4-(methylamino)butanoic acid

C5H12N2O2 — CID 76955323

IUPAC3-amino-4-(methylamino)butanoic acid
SMILESCNCC(N)CC(=O)O
InChIInChI=1S/C5H12N2O2/c1-7-3-4(6)2-5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)
InChIKeyCWWRZKGJXKWVGS-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.99
Rot. Bonds4

About 3-amino-4-(methylamino)butanoic acid

3-amino-4-(methylamino)butanoic acid (PubChem CID 76955323) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 3-amino-4-(methylamino)butanoic acid.

Molecular Properties

Compound Name3-amino-4-(methylamino)butanoic acid
PubChem CID76955323
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name3-amino-4-(methylamino)butanoic acid
SMILESCNCC(N)CC(=O)O
InChIInChI=1S/C5H12N2O2/c1-7-3-4(6)2-5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)
InChIKeyCWWRZKGJXKWVGS-UHFFFAOYSA-N
XLogP-0.99
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-4-(methylamino)butanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(methylamino)butanoic acid?
The IUPAC name of 3-amino-4-(methylamino)butanoic acid (CID 76955323) is 3-amino-4-(methylamino)butanoic acid.
What is the SMILES notation for 3-amino-4-(methylamino)butanoic acid?
The canonical SMILES for 3-amino-4-(methylamino)butanoic acid is CNCC(N)CC(=O)O.
What is the InChIKey of 3-amino-4-(methylamino)butanoic acid?
The InChIKey is CWWRZKGJXKWVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-7-3-4(6)2-5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9).
What are the key properties of 3-amino-4-(methylamino)butanoic acid?
3-amino-4-(methylamino)butanoic acid has a molecular weight of 132.16 g/mol, XLogP of -0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(methylamino)butanoic acid is sourced from PubChem (CID 76955323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).