[methyl(4-oxobutanoyl)amino] 1-formylcyclobutane-1-carboxylate

C11H15NO5 — CID 144870608

IUPAC[methyl(4-oxobutanoyl)amino] 1-formylcyclobutane-1-carboxylate
SMILESCN(OC(=O)C1(C=O)CCC1)C(=O)CCC=O
InChIInChI=1S/C11H15NO5/c1-12(9(15)4-2-7-13)17-10(16)11(8-14)5-3-6-11/h7-8H,2-6H2,1H3
InChIKeyPACJJYXAVWVBBH-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.25
Rot. Bonds5

About [methyl(4-oxobutanoyl)amino] 1-formylcyclobutane-1-carboxylate

[methyl(4-oxobutanoyl)amino] 1-formylcyclobutane-1-carboxylate (PubChem CID 144870608) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is [methyl(4-oxobutanoyl)amino] 1-formylcyclobutane-1-carboxylate.

Molecular Properties

Compound Name[methyl(4-oxobutanoyl)amino] 1-formylcyclobutane-1-carboxylate
PubChem CID144870608
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name[methyl(4-oxobutanoyl)amino] 1-formylcyclobutane-1-carboxylate
SMILESCN(OC(=O)C1(C=O)CCC1)C(=O)CCC=O
InChIInChI=1S/C11H15NO5/c1-12(9(15)4-2-7-13)17-10(16)11(8-14)5-3-6-11/h7-8H,2-6H2,1H3
InChIKeyPACJJYXAVWVBBH-UHFFFAOYSA-N
XLogP0.25
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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] 1-formylcyclobutane-1-carboxylate?
The IUPAC name of [methyl(4-oxobutanoyl)amino] 1-formylcyclobutane-1-carboxylate (CID 144870608) is [methyl(4-oxobutanoyl)amino] 1-formylcyclobutane-1-carboxylate.
What is the SMILES notation for [methyl(4-oxobutanoyl)amino] 1-formylcyclobutane-1-carboxylate?
The canonical SMILES for [methyl(4-oxobutanoyl)amino] 1-formylcyclobutane-1-carboxylate is CN(OC(=O)C1(C=O)CCC1)C(=O)CCC=O.
What is the InChIKey of [methyl(4-oxobutanoyl)amino] 1-formylcyclobutane-1-carboxylate?
The InChIKey is PACJJYXAVWVBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-12(9(15)4-2-7-13)17-10(16)11(8-14)5-3-6-11/h7-8H,2-6H2,1H3.
What are the key properties of [methyl(4-oxobutanoyl)amino] 1-formylcyclobutane-1-carboxylate?
[methyl(4-oxobutanoyl)amino] 1-formylcyclobutane-1-carboxylate has a molecular weight of 241.24 g/mol, XLogP of 0.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(4-oxobutanoyl)amino] 1-formylcyclobutane-1-carboxylate is sourced from PubChem (CID 144870608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).