2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid

C14H23NO3 — CID 54962940

IUPAC2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCCC1CCC(NC(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C14H23NO3/c1-2-3-9-4-6-10(7-5-9)15-13(16)11-8-12(11)14(17)18/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyWXNCFVVARWQBCW-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.18
Rot. Bonds5

About 2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 54962940) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID54962940
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCCC1CCC(NC(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C14H23NO3/c1-2-3-9-4-6-10(7-5-9)15-13(16)11-8-12(11)14(17)18/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyWXNCFVVARWQBCW-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114543550
4-methyl-N-(4-propylcyclohexyl)pyrrolidine-3-carboxamide
CID 63714005
2-[(2-propylcyclopropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106704168
2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid
CID 4638930
3-amino-4-methyl-N-(4-propylcyclohexyl)cyclohexane-1-carboxamide
CID 62781125
2-[(4-hydroxycyclohexyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 104966695
2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792023
2-methyl-3-oxo-3-[(4-propylcyclohexyl)amino]propanoic acid
CID 114898278
2-hydroxy-2-methyl-N-(4-propylcyclohexyl)propanamide
CID 103429701
(2R,3S)-2-methyl-N-(4-propylcyclohexyl)morpholine-3-carboxamide;hydrochloride
CID 120927900
1-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 55035364
2-[(2-methylpropan-2-yl)oxy]-4-propylcyclohexane-1-carboxylic acid
CID 114991724

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 54962940) is 2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid is CCCC1CCC(NC(=O)C2CC2C(=O)O)CC1.
What is the InChIKey of 2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is WXNCFVVARWQBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-3-9-4-6-10(7-5-9)15-13(16)11-8-12(11)14(17)18/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 54962940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).