4-methoxy-3-(methylamino)-4-oxobutanoic acid

C6H11NO4 — CID 18732209

IUPAC4-methoxy-3-(methylamino)-4-oxobutanoic acid
SMILESCNC(CC(=O)O)C(=O)OC
InChIInChI=1S/C6H11NO4/c1-7-4(3-5(8)9)6(10)11-2/h4,7H,3H2,1-2H3,(H,8,9)
InChIKeyQZCUGSDVKOPFPN-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.78
Rot. Bonds4

About 4-methoxy-3-(methylamino)-4-oxobutanoic acid

4-methoxy-3-(methylamino)-4-oxobutanoic acid (PubChem CID 18732209) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 4-methoxy-3-(methylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-methoxy-3-(methylamino)-4-oxobutanoic acid
PubChem CID18732209
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name4-methoxy-3-(methylamino)-4-oxobutanoic acid
SMILESCNC(CC(=O)O)C(=O)OC
InChIInChI=1S/C6H11NO4/c1-7-4(3-5(8)9)6(10)11-2/h4,7H,3H2,1-2H3,(H,8,9)
InChIKeyQZCUGSDVKOPFPN-UHFFFAOYSA-N
XLogP-0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-3-(methylamino)-4-oxobutanoic 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 4-methoxy-3-(methylamino)-4-oxobutanoic acid?
The IUPAC name of 4-methoxy-3-(methylamino)-4-oxobutanoic acid (CID 18732209) is 4-methoxy-3-(methylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-methoxy-3-(methylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-methoxy-3-(methylamino)-4-oxobutanoic acid is CNC(CC(=O)O)C(=O)OC.
What is the InChIKey of 4-methoxy-3-(methylamino)-4-oxobutanoic acid?
The InChIKey is QZCUGSDVKOPFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-7-4(3-5(8)9)6(10)11-2/h4,7H,3H2,1-2H3,(H,8,9).
What are the key properties of 4-methoxy-3-(methylamino)-4-oxobutanoic acid?
4-methoxy-3-(methylamino)-4-oxobutanoic acid has a molecular weight of 161.16 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(methylamino)-4-oxobutanoic acid is sourced from PubChem (CID 18732209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).