2-[(4-hydroxycyclohexyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid

C14H23NO4 — CID 104966695

IUPAC2-[(4-hydroxycyclohexyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NC2CCC(O)CC2)C1
InChIInChI=1S/C14H23NO4/c1-8-6-11(12(7-8)14(18)19)13(17)15-9-2-4-10(16)5-3-9/h8-12,16H,2-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyFHNWPNHZEOLLMX-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.15
Rot. Bonds3

About 2-[(4-hydroxycyclohexyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid

2-[(4-hydroxycyclohexyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 104966695) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID104966695
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-[(4-hydroxycyclohexyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NC2CCC(O)CC2)C1
InChIInChI=1S/C14H23NO4/c1-8-6-11(12(7-8)14(18)19)13(17)15-9-2-4-10(16)5-3-9/h8-12,16H,2-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyFHNWPNHZEOLLMX-UHFFFAOYSA-N
XLogP1.15
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114543550
(1S,6R)-6-[(4-hydroxycyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 93365688
2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid
CID 4638930
2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792023
2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54962940
cis-(1S,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091666
2-(cyclobutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 130735456
1-(4-hydroxycyclohexyl)-3-(4-methylcyclohexyl)urea
CID 47164010
cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 97030816
cis-(1S,2R)-2-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114093102
(1S,6S)-6-[(4-methylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 51427698
2-methyl-N-(3-methylcyclobutyl)cyclopropane-1-carboxamide
CID 130668952

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-hydroxycyclohexyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 104966695) is 2-[(4-hydroxycyclohexyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(C(=O)NC2CCC(O)CC2)C1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is FHNWPNHZEOLLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-8-6-11(12(7-8)14(18)19)13(17)15-9-2-4-10(16)5-3-9/h8-12,16H,2-7H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(4-hydroxycyclohexyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
2-[(4-hydroxycyclohexyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 104966695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).