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

C14H23NO3 — CID 55035364

IUPAC1-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCCC1CCC(NC(=O)C2(C(=O)O)CC2)CC1
InChIInChI=1S/C14H23NO3/c1-2-3-10-4-6-11(7-5-10)15-12(16)14(8-9-14)13(17)18/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyQSHCNGYSPSGJGX-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.33
Rot. Bonds5

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

1-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 55035364) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID55035364
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCCC1CCC(NC(=O)C2(C(=O)O)CC2)CC1
InChIInChI=1S/C14H23NO3/c1-2-3-10-4-6-11(7-5-10)15-12(16)14(8-9-14)13(17)18/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyQSHCNGYSPSGJGX-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(4-propylcyclohexyl)piperidine-4-carboxamide
CID 63122402
1-[(1-propylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095589
2-methyl-3-oxo-3-[(4-propylcyclohexyl)amino]propanoic acid
CID 114898278
2-hydroxy-2-methyl-N-(4-propylcyclohexyl)propanamide
CID 103429701
5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid
CID 54962890
4-oxo-4-[(4-propylcyclohexyl)amino]but-2-enoic acid
CID 54962888
1-[(3,4-dimethylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64742373
ethyl N-(4-propylcyclohexyl)carbamate
CID 61381222
2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54962940
2,2-dimethyl-4-oxo-4-[(4-propylcyclohexyl)amino]butanoic acid
CID 65300395
1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide
CID 67413322
4-[(4-propylcyclohexyl)carbamoyl]benzoic acid
CID 61409748

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 55035364) is 1-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid is CCCC1CCC(NC(=O)C2(C(=O)O)CC2)CC1.
What is the InChIKey of 1-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is QSHCNGYSPSGJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-3-10-4-6-11(7-5-10)15-12(16)14(8-9-14)13(17)18/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 55035364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).