[methyl(4-oxobutanoyl)amino] cyclobutanecarboxylate

C10H15NO4 — CID 154967427

IUPAC[methyl(4-oxobutanoyl)amino] cyclobutanecarboxylate
SMILESCN(OC(=O)C1CCC1)C(=O)CCC=O
InChIInChI=1S/C10H15NO4/c1-11(9(13)6-3-7-12)15-10(14)8-4-2-5-8/h7-8H,2-6H2,1H3
InChIKeyXKWNUFYLSHZCBX-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.68
Rot. Bonds4

About [methyl(4-oxobutanoyl)amino] cyclobutanecarboxylate

[methyl(4-oxobutanoyl)amino] cyclobutanecarboxylate (PubChem CID 154967427) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is [methyl(4-oxobutanoyl)amino] cyclobutanecarboxylate.

Molecular Properties

Compound Name[methyl(4-oxobutanoyl)amino] cyclobutanecarboxylate
PubChem CID154967427
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name[methyl(4-oxobutanoyl)amino] cyclobutanecarboxylate
SMILESCN(OC(=O)C1CCC1)C(=O)CCC=O
InChIInChI=1S/C10H15NO4/c1-11(9(13)6-3-7-12)15-10(14)8-4-2-5-8/h7-8H,2-6H2,1H3
InChIKeyXKWNUFYLSHZCBX-UHFFFAOYSA-N
XLogP0.68
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
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'}

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Frequently Asked Questions

What is the IUPAC name of [methyl(4-oxobutanoyl)amino] cyclobutanecarboxylate?
The IUPAC name of [methyl(4-oxobutanoyl)amino] cyclobutanecarboxylate (CID 154967427) is [methyl(4-oxobutanoyl)amino] cyclobutanecarboxylate.
What is the SMILES notation for [methyl(4-oxobutanoyl)amino] cyclobutanecarboxylate?
The canonical SMILES for [methyl(4-oxobutanoyl)amino] cyclobutanecarboxylate is CN(OC(=O)C1CCC1)C(=O)CCC=O.
What is the InChIKey of [methyl(4-oxobutanoyl)amino] cyclobutanecarboxylate?
The InChIKey is XKWNUFYLSHZCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-11(9(13)6-3-7-12)15-10(14)8-4-2-5-8/h7-8H,2-6H2,1H3.
What are the key properties of [methyl(4-oxobutanoyl)amino] cyclobutanecarboxylate?
[methyl(4-oxobutanoyl)amino] cyclobutanecarboxylate has a molecular weight of 213.23 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(4-oxobutanoyl)amino] cyclobutanecarboxylate is sourced from PubChem (CID 154967427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).