2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid

C15H24N2O4 — CID 17379030

IUPAC2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C15H24N2O4/c18-13-7-3-9-17(13)10-4-8-16-14(19)11-5-1-2-6-12(11)15(20)21/h11-12H,1-10H2,(H,16,19)(H,20,21)
InChIKeyPMFGICCOQLNWPC-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.01
Rot. Bonds6

About 2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid

2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 17379030) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID17379030
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C15H24N2O4/c18-13-7-3-9-17(13)10-4-8-16-14(19)11-5-1-2-6-12(11)15(20)21/h11-12H,1-10H2,(H,16,19)(H,20,21)
InChIKeyPMFGICCOQLNWPC-UHFFFAOYSA-N
XLogP1.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid (CID 17379030) is 2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)NCCCN1CCCC1=O.
What is the InChIKey of 2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is PMFGICCOQLNWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c18-13-7-3-9-17(13)10-4-8-16-14(19)11-5-1-2-6-12(11)15(20)21/h11-12H,1-10H2,(H,16,19)(H,20,21).
What are the key properties of 2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 17379030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).