4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H22N2O4 — CID 60809527

IUPAC4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCN1CC(C(=O)NC2CCC(C(=O)O)CC2)CC1=O
InChIInChI=1S/C14H22N2O4/c1-2-16-8-10(7-12(16)17)13(18)15-11-5-3-9(4-6-11)14(19)20/h9-11H,2-8H2,1H3,(H,15,18)(H,19,20)
InChIKeyIDFOMBSBCYNQMZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.61
Rot. Bonds4

About 4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 60809527) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID60809527
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCN1CC(C(=O)NC2CCC(C(=O)O)CC2)CC1=O
InChIInChI=1S/C14H22N2O4/c1-2-16-8-10(7-12(16)17)13(18)15-11-5-3-9(4-6-11)14(19)20/h9-11H,2-8H2,1H3,(H,15,18)(H,19,20)
InChIKeyIDFOMBSBCYNQMZ-UHFFFAOYSA-N
XLogP0.61
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 60809527) is 4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is CCN1CC(C(=O)NC2CCC(C(=O)O)CC2)CC1=O.
What is the InChIKey of 4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is IDFOMBSBCYNQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-2-16-8-10(7-12(16)17)13(18)15-11-5-3-9(4-6-11)14(19)20/h9-11H,2-8H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60809527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).