2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid

C16H28N2O3 — CID 64700515

IUPAC2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid
SMILESCC(NC(=O)NC1(CC(=O)O)CCCC1)C1CCCCC1
InChIInChI=1S/C16H28N2O3/c1-12(13-7-3-2-4-8-13)17-15(21)18-16(11-14(19)20)9-5-6-10-16/h12-13H,2-11H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyIEPPAHXXHGASSX-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.04
Rot. Bonds5

About 2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid

2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid (PubChem CID 64700515) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid
PubChem CID64700515
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid
SMILESCC(NC(=O)NC1(CC(=O)O)CCCC1)C1CCCCC1
InChIInChI=1S/C16H28N2O3/c1-12(13-7-3-2-4-8-13)17-15(21)18-16(11-14(19)20)9-5-6-10-16/h12-13H,2-11H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyIEPPAHXXHGASSX-UHFFFAOYSA-N
XLogP3.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid
CID 79851852
2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid
CID 64700065
2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 64701263
2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64699645
2-[1-(2-methylpropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702378
1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 61198115
1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619002
2-[1-(4,4,4-trifluorobutan-2-ylcarbamoylamino)cyclobutyl]acetic acid
CID 114131763
2-[1-(pent-1-yn-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 114161541
2-[1-[(3-methylcyclopentyl)carbamoylamino]cyclohexyl]acetic acid
CID 114548722
2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid
CID 65019610
2-(1-aminocyclohexyl)-N-(1-cyclopentylethyl)acetamide
CID 64679071

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid (CID 64700515) is 2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid is CC(NC(=O)NC1(CC(=O)O)CCCC1)C1CCCCC1.
What is the InChIKey of 2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid?
The InChIKey is IEPPAHXXHGASSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12(13-7-3-2-4-8-13)17-15(21)18-16(11-14(19)20)9-5-6-10-16/h12-13H,2-11H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid?
2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid has a molecular weight of 296.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 64700515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).