4-cyclopentyl-2-formamido-4-oxobutanoic acid

C10H15NO4 — CID 104749770

IUPAC4-cyclopentyl-2-formamido-4-oxobutanoic acid
SMILESO=CNC(CC(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C10H15NO4/c12-6-11-8(10(14)15)5-9(13)7-3-1-2-4-7/h6-8H,1-5H2,(H,11,12)(H,14,15)
InChIKeyFIPUXYINDUFJAR-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.34
Rot. Bonds6

About 4-cyclopentyl-2-formamido-4-oxobutanoic acid

4-cyclopentyl-2-formamido-4-oxobutanoic acid (PubChem CID 104749770) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 4-cyclopentyl-2-formamido-4-oxobutanoic acid.

Molecular Properties

Compound Name4-cyclopentyl-2-formamido-4-oxobutanoic acid
PubChem CID104749770
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name4-cyclopentyl-2-formamido-4-oxobutanoic acid
SMILESO=CNC(CC(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C10H15NO4/c12-6-11-8(10(14)15)5-9(13)7-3-1-2-4-7/h6-8H,1-5H2,(H,11,12)(H,14,15)
InChIKeyFIPUXYINDUFJAR-UHFFFAOYSA-N
XLogP0.34
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-formamido-4-oxobutanoic acid?
The IUPAC name of 4-cyclopentyl-2-formamido-4-oxobutanoic acid (CID 104749770) is 4-cyclopentyl-2-formamido-4-oxobutanoic acid.
What is the SMILES notation for 4-cyclopentyl-2-formamido-4-oxobutanoic acid?
The canonical SMILES for 4-cyclopentyl-2-formamido-4-oxobutanoic acid is O=CNC(CC(=O)C1CCCC1)C(=O)O.
What is the InChIKey of 4-cyclopentyl-2-formamido-4-oxobutanoic acid?
The InChIKey is FIPUXYINDUFJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c12-6-11-8(10(14)15)5-9(13)7-3-1-2-4-7/h6-8H,1-5H2,(H,11,12)(H,14,15).
What are the key properties of 4-cyclopentyl-2-formamido-4-oxobutanoic acid?
4-cyclopentyl-2-formamido-4-oxobutanoic acid has a molecular weight of 213.23 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-formamido-4-oxobutanoic acid is sourced from PubChem (CID 104749770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).