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

C14H17NO3 — CID 62096237

IUPAC1-[(4-propylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCCc1ccc(NC(=O)C2(C(=O)O)CC2)cc1
InChIInChI=1S/C14H17NO3/c1-2-3-10-4-6-11(7-5-10)15-12(16)14(8-9-14)13(17)18/h4-7H,2-3,8-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyRZQDOGWCVXQERQ-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.44
Rot. Bonds5

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

1-[(4-propylphenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 62096237) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-[(4-propylphenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-propylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID62096237
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-[(4-propylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCCc1ccc(NC(=O)C2(C(=O)O)CC2)cc1
InChIInChI=1S/C14H17NO3/c1-2-3-10-4-6-11(7-5-10)15-12(16)14(8-9-14)13(17)18/h4-7H,2-3,8-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyRZQDOGWCVXQERQ-UHFFFAOYSA-N
XLogP2.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.44
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

1-amino-N-(4-propylphenyl)cyclopentane-1-carboxamide
CID 54925144
1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide
CID 80593406
1-[[2-oxo-2-(4-propylanilino)ethyl]amino]cyclobutane-1-carboxylic acid
CID 81155992
1-[(4-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095222
1-(aminomethyl)-3-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide
CID 80588204
3-ethyl-N-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 55166292
2-hydrazinyl-2-oxo-N-(4-propylphenyl)acetamide
CID 43378780
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
1-carbamimidoyl-N-(4-decylphenyl)cyclopropane-1-carboxamide
CID 46197558
1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 55034788
3-methyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 63130315
cis-(1R,2S)-2-[(4-propylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 27484556

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(4-propylphenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 62096237) is 1-[(4-propylphenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-propylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(4-propylphenyl)carbamoyl]cyclopropane-1-carboxylic acid is CCCc1ccc(NC(=O)C2(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[(4-propylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is RZQDOGWCVXQERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-3-10-4-6-11(7-5-10)15-12(16)14(8-9-14)13(17)18/h4-7H,2-3,8-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-[(4-propylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[(4-propylphenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propylphenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62096237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).