2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid

C16H28N2O3 — CID 64915825

IUPAC2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)NC2CCCCC2C(=O)O)C1C
InChIInChI=1S/C16H28N2O3/c1-3-11-8-9-13(10(11)2)17-16(21)18-14-7-5-4-6-12(14)15(19)20/h10-14H,3-9H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyHCRJJUMKBCLSHJ-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.75
Rot. Bonds4

About 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid

2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 64915825) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID64915825
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)NC2CCCCC2C(=O)O)C1C
InChIInChI=1S/C16H28N2O3/c1-3-11-8-9-13(10(11)2)17-16(21)18-14-7-5-4-6-12(14)15(19)20/h10-14H,3-9H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyHCRJJUMKBCLSHJ-UHFFFAOYSA-N
XLogP2.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64914232
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylbutanoic acid
CID 64914032
4-[(2-ethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66239762
3-(3-ethyl-2-methylcyclopentyl)-1,1-dimethylurea
CID 116656385
2-chloro-N-[(3-ethyl-2-methylcyclohexyl)carbamoyl]acetamide
CID 143560606
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylpentanoic acid
CID 64916428
N-(3-ethyl-2-methylcyclopentyl)-2,2,2-trifluoroacetamide
CID 64914468
N-(3-ethyl-2-methylcyclopentyl)-2,2-difluoroacetamide
CID 103515760
N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinyl-2-oxoacetamide
CID 64917052
(3R)-1-[(3-ethyl-2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 81119833
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methoxypropanoic acid
CID 81081091
ethyl 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]acetate
CID 64916038

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 64915825) is 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)NC2CCCCC2C(=O)O)C1C.
What is the InChIKey of 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is HCRJJUMKBCLSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-11-8-9-13(10(11)2)17-16(21)18-14-7-5-4-6-12(14)15(19)20/h10-14H,3-9H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid?
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64915825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).