4-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid

C14H23N3O4 — CID 122016510

IUPAC4-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCN1CC(NC(=O)NC2CCC(C(=O)O)CC2)CC1=O
InChIInChI=1S/C14H23N3O4/c1-2-17-8-11(7-12(17)18)16-14(21)15-10-5-3-9(4-6-10)13(19)20/h9-11H,2-8H2,1H3,(H,19,20)(H2,15,16,21)
InChIKeyIHMDCAFUKPMFAQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.55
Rot. Bonds4

About 4-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid

4-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122016510) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122016510
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name4-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCN1CC(NC(=O)NC2CCC(C(=O)O)CC2)CC1=O
InChIInChI=1S/C14H23N3O4/c1-2-17-8-11(7-12(17)18)16-14(21)15-10-5-3-9(4-6-10)13(19)20/h9-11H,2-8H2,1H3,(H,19,20)(H2,15,16,21)
InChIKeyIHMDCAFUKPMFAQ-UHFFFAOYSA-N
XLogP0.55
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60809527
1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122016509
3-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 122016506
1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124059
N-(1-ethyl-5-oxopyrrolidin-3-yl)-2,2-diphenylacetamide
CID 136546634
1-amino-3-(1-ethyl-5-oxopyrrolidin-3-yl)thiourea
CID 130847134
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(1-ethyl-5-oxopyrrolidin-3-yl)urea
CID 46996241
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea
CID 95598501
4-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 125149285
4-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 125148865
4-[[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 125148866
methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 122016510) is 4-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid is CCN1CC(NC(=O)NC2CCC(C(=O)O)CC2)CC1=O.
What is the InChIKey of 4-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is IHMDCAFUKPMFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-2-17-8-11(7-12(17)18)16-14(21)15-10-5-3-9(4-6-10)13(19)20/h9-11H,2-8H2,1H3,(H,19,20)(H2,15,16,21).
What are the key properties of 4-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122016510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).