2-amino-4-methoxybutanoic acid

C5H11NO3 — CID 18713

IUPAC2-amino-4-methoxybutanoic acid
SMILESCOCCC(N)C(=O)O
InChIInChI=1S/C5H11NO3/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChIKeyKFHRMMHGGBCRIV-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.57
Rot. Bonds4

About 2-amino-4-methoxybutanoic acid

2-amino-4-methoxybutanoic acid (PubChem CID 18713) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-amino-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-amino-4-methoxybutanoic acid
PubChem CID18713
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name2-amino-4-methoxybutanoic acid
SMILESCOCCC(N)C(=O)O
InChIInChI=1S/C5H11NO3/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChIKeyKFHRMMHGGBCRIV-UHFFFAOYSA-N
XLogP-0.57
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-4-methoxybutanoic 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 2-amino-4-methoxybutanoic acid?
The IUPAC name of 2-amino-4-methoxybutanoic acid (CID 18713) is 2-amino-4-methoxybutanoic acid.
What is the SMILES notation for 2-amino-4-methoxybutanoic acid?
The canonical SMILES for 2-amino-4-methoxybutanoic acid is COCCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-methoxybutanoic acid?
The InChIKey is KFHRMMHGGBCRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8).
What are the key properties of 2-amino-4-methoxybutanoic acid?
2-amino-4-methoxybutanoic acid has a molecular weight of 133.15 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxybutanoic acid is sourced from PubChem (CID 18713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).