[methyl(4-oxobutanoyl)amino] butanoate

C9H15NO4 — CID 138509618

IUPAC[methyl(4-oxobutanoyl)amino] butanoate
SMILESCCCC(=O)ON(C)C(=O)CCC=O
InChIInChI=1S/C9H15NO4/c1-3-5-9(13)14-10(2)8(12)6-4-7-11/h7H,3-6H2,1-2H3
InChIKeyIZVUOBQFQRACGO-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.68
Rot. Bonds5

About [methyl(4-oxobutanoyl)amino] butanoate

[methyl(4-oxobutanoyl)amino] butanoate (PubChem CID 138509618) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is [methyl(4-oxobutanoyl)amino] butanoate.

Molecular Properties

Compound Name[methyl(4-oxobutanoyl)amino] butanoate
PubChem CID138509618
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name[methyl(4-oxobutanoyl)amino] butanoate
SMILESCCCC(=O)ON(C)C(=O)CCC=O
InChIInChI=1S/C9H15NO4/c1-3-5-9(13)14-10(2)8(12)6-4-7-11/h7H,3-6H2,1-2H3
InChIKeyIZVUOBQFQRACGO-UHFFFAOYSA-N
XLogP0.68
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [methyl(4-oxobutanoyl)amino] butanoate 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 [methyl(4-oxobutanoyl)amino] butanoate?
The IUPAC name of [methyl(4-oxobutanoyl)amino] butanoate (CID 138509618) is [methyl(4-oxobutanoyl)amino] butanoate.
What is the SMILES notation for [methyl(4-oxobutanoyl)amino] butanoate?
The canonical SMILES for [methyl(4-oxobutanoyl)amino] butanoate is CCCC(=O)ON(C)C(=O)CCC=O.
What is the InChIKey of [methyl(4-oxobutanoyl)amino] butanoate?
The InChIKey is IZVUOBQFQRACGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-3-5-9(13)14-10(2)8(12)6-4-7-11/h7H,3-6H2,1-2H3.
What are the key properties of [methyl(4-oxobutanoyl)amino] butanoate?
[methyl(4-oxobutanoyl)amino] butanoate has a molecular weight of 201.22 g/mol, XLogP of 0.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(4-oxobutanoyl)amino] butanoate is sourced from PubChem (CID 138509618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).