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

C16H28N2O3 — CID 64914232

IUPAC3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)NC2CCCC(C(=O)O)C2)C1C
InChIInChI=1S/C16H28N2O3/c1-3-11-7-8-14(10(11)2)18-16(21)17-13-6-4-5-12(9-13)15(19)20/h10-14H,3-9H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyNRUFFRLRQQFRAW-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.75
Rot. Bonds4

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

3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 64914232) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID64914232
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)NC2CCCC(C(=O)O)C2)C1C
InChIInChI=1S/C16H28N2O3/c1-3-11-7-8-14(10(11)2)18-16(21)17-13-6-4-5-12(9-13)15(19)20/h10-14H,3-9H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyNRUFFRLRQQFRAW-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

2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64915825
cis-(1R,3S)-3-[(2-ethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320416
3-[(2,4-dimethylcyclohexyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63999198
3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63043004
3-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide
CID 64915659
(3R)-1-[(3-ethyl-2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 81119833
3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 106330490
3-(2-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide
CID 64915853
3-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 80720615
3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 103463198
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylbutanoic acid
CID 64914032
3-[3-(ethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63041759

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 64914232) is 3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)NC2CCCC(C(=O)O)C2)C1C.
What is the InChIKey of 3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is NRUFFRLRQQFRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-11-7-8-14(10(11)2)18-16(21)17-13-6-4-5-12(9-13)15(19)20/h10-14H,3-9H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid?
3-[(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 3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64914232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).