4-[methoxycarbonyl(methyl)amino]butanoic acid

C7H13NO4 — CID 18442970

IUPAC4-[methoxycarbonyl(methyl)amino]butanoic acid
SMILESCOC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C7H13NO4/c1-8(7(11)12-2)5-3-4-6(9)10/h3-5H2,1-2H3,(H,9,10)
InChIKeyITGQKWNOLNWCKZ-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.55
Rot. Bonds4

About 4-[methoxycarbonyl(methyl)amino]butanoic acid

4-[methoxycarbonyl(methyl)amino]butanoic acid (PubChem CID 18442970) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 4-[methoxycarbonyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methoxycarbonyl(methyl)amino]butanoic acid
PubChem CID18442970
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name4-[methoxycarbonyl(methyl)amino]butanoic acid
SMILESCOC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C7H13NO4/c1-8(7(11)12-2)5-3-4-6(9)10/h3-5H2,1-2H3,(H,9,10)
InChIKeyITGQKWNOLNWCKZ-UHFFFAOYSA-N
XLogP0.55
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[methoxycarbonyl(methyl)amino]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

Related Compounds

4-(Dimethylamino)butyric acid
CID 239820
4-{[(Tert-butoxy)carbonyl](methyl)amino}butanoic acid
CID 10656390
4-((Methoxycarbonyl)amino)butanoic acid
CID 21721284
4-[Methyl(2,2,2-trifluoroethoxycarbonyl)amino]butanoic acid
CID 61170592
4-[Dimethylamino(methoxycarbonyl)amino]butanoic acid
CID 3024681
4-[Formyl(methyl)amino]butanoic acid
CID 19820848
4-(N-methylacetamido)butanoic acid
CID 19900399
4-[Carbonochloridoyl(methyl)amino]butanoic acid
CID 22124152
4-[Methyl(2-methylpropoxycarbonyl)amino]butanoic acid
CID 43151871
4-[Formyl(propyl)amino]butanoic acid
CID 53873287
4-(Diformylamino)butanoic acid
CID 59869417
Methyl 4-[methoxycarbonyl(methyl)amino]butanoate
CID 59929464

Frequently Asked Questions

What is the IUPAC name of 4-[methoxycarbonyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[methoxycarbonyl(methyl)amino]butanoic acid (CID 18442970) is 4-[methoxycarbonyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[methoxycarbonyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[methoxycarbonyl(methyl)amino]butanoic acid is COC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methoxycarbonyl(methyl)amino]butanoic acid?
The InChIKey is ITGQKWNOLNWCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-8(7(11)12-2)5-3-4-6(9)10/h3-5H2,1-2H3,(H,9,10).
What are the key properties of 4-[methoxycarbonyl(methyl)amino]butanoic acid?
4-[methoxycarbonyl(methyl)amino]butanoic acid has a molecular weight of 175.18 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxycarbonyl(methyl)amino]butanoic acid is sourced from PubChem (CID 18442970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).