2-[(3-hydroxycyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid

C13H21NO4 — CID 103978293

IUPAC2-[(3-hydroxycyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NC1CCCC(O)C1
InChIInChI=1S/C13H21NO4/c15-9-4-1-3-8(7-9)14-12(16)10-5-2-6-11(10)13(17)18/h8-11,15H,1-7H2,(H,14,16)(H,17,18)
InChIKeyCEFCYSXUQXXYIW-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.91
Rot. Bonds3

About 2-[(3-hydroxycyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid

2-[(3-hydroxycyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978293) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[(3-hydroxycyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxycyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978293
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-[(3-hydroxycyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NC1CCCC(O)C1
InChIInChI=1S/C13H21NO4/c15-9-4-1-3-8(7-9)14-12(16)10-5-2-6-11(10)13(17)18/h8-11,15H,1-7H2,(H,14,16)(H,17,18)
InChIKeyCEFCYSXUQXXYIW-UHFFFAOYSA-N
XLogP0.91
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclobutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 130735456
cis-(1S,2R)-2-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114093102
cis-(1S,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091666
trans-(1S,2S)-2-[[(1S,2R)-2-[[(1S,2R)-2-carboxycyclohexanecarbonyl]amino]cyclohexyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124780718
[(1R,3R)-3-hydroxycycloheptyl]carbamic acid
CID 89396193
2-(thiolan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103062497
N-[(1R,3R)-3-hydroxycyclohexyl]acetamide
CID 130005028
N-[(1R,3S)-3-hydroxycyclohexyl]acetamide
CID 121286290
cis-(1S,2R)-2-[(3-methylsulfanylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114122622
2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid
CID 4638930
N-(3-hydroxycyclohexyl)pyrrolidine-2-carboxamide
CID 43696094
methyl N-(3-hydroxycyclohexyl)carbamate
CID 103626697

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxycyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-hydroxycyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103978293) is 2-[(3-hydroxycyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxycyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxycyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C(=O)NC1CCCC(O)C1.
What is the InChIKey of 2-[(3-hydroxycyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is CEFCYSXUQXXYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c15-9-4-1-3-8(7-9)14-12(16)10-5-2-6-11(10)13(17)18/h8-11,15H,1-7H2,(H,14,16)(H,17,18).
What are the key properties of 2-[(3-hydroxycyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[(3-hydroxycyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxycyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).