1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid

C15H24N2O4 — CID 61294502

IUPAC1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCCN1CC(C(=O)NC2(C(=O)O)CCCCC2C)CC1=O
InChIInChI=1S/C15H24N2O4/c1-3-17-9-11(8-12(17)18)13(19)16-15(14(20)21)7-5-4-6-10(15)2/h10-11H,3-9H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyDLDMUHOLUWBIAO-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.00
Rot. Bonds4

About 1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid

1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid (PubChem CID 61294502) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
PubChem CID61294502
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCCN1CC(C(=O)NC2(C(=O)O)CCCCC2C)CC1=O
InChIInChI=1S/C15H24N2O4/c1-3-17-9-11(8-12(17)18)13(19)16-15(14(20)21)7-5-4-6-10(15)2/h10-11H,3-9H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyDLDMUHOLUWBIAO-UHFFFAOYSA-N
XLogP1.00
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 61293575
2-[1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutyl]acetic acid
CID 79848389
1-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 43169394
1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 65119011
4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60809527
1-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 65119183
1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 61292847
2-ethyl-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 79806546
(3S)-N-[1-(3-bromophenyl)cyclobutyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 95580520
1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61295410
2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79793392
1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid
CID 60997493

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid (CID 61294502) is 1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid is CCN1CC(C(=O)NC2(C(=O)O)CCCCC2C)CC1=O.
What is the InChIKey of 1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is DLDMUHOLUWBIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-3-17-9-11(8-12(17)18)13(19)16-15(14(20)21)7-5-4-6-10(15)2/h10-11H,3-9H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61294502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).