2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid

C13H21NO3 — CID 4638930

IUPAC2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NC1CCCCCCC1
InChIInChI=1S/C13H21NO3/c15-12(10-8-11(10)13(16)17)14-9-6-4-2-1-3-5-7-9/h9-11H,1-8H2,(H,14,15)(H,16,17)
InChIKeyUZOXCZPEXYPXNF-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.94
Rot. Bonds3

About 2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid

2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 4638930) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID4638930
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NC1CCCCCCC1
InChIInChI=1S/C13H21NO3/c15-12(10-8-11(10)13(16)17)14-9-6-4-2-1-3-5-7-9/h9-11H,1-8H2,(H,14,15)(H,16,17)
InChIKeyUZOXCZPEXYPXNF-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-N-dicyclohexylcyclopropane-1,2-dicarboxamide
CID 109132364
2-N-cycloheptyl-1-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132055
2-(cyclobutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 130735456
3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549818
2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792023
2-[(3-methylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114543550
(1R,6S)-6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 842083
cis-(1R,2S)-2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124833159
2-N-cycloheptyl-1-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
CID 109138181
ethyl 2-(cyclohexylcarbamoyl)cyclopropane-1-carboxylate
CID 102105181
2-[(4-hydroxycyclohexyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 104966695
2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54962940

Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid (CID 4638930) is 2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)NC1CCCCCCC1.
What is the InChIKey of 2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is UZOXCZPEXYPXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-12(10-8-11(10)13(16)17)14-9-6-4-2-1-3-5-7-9/h9-11H,1-8H2,(H,14,15)(H,16,17).
What are the key properties of 2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid?
2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 4638930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).