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

C13H15NO3 — CID 54918615

IUPAC2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCc1ccc(NC(=O)C2CC2C(=O)O)cc1
InChIInChI=1S/C13H15NO3/c1-2-8-3-5-9(6-4-8)14-12(15)10-7-11(10)13(16)17/h3-6,10-11H,2,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyGJFYLTRBRLMMLS-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.91
Rot. Bonds4

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

2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 54918615) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID54918615
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCc1ccc(NC(=O)C2CC2C(=O)O)cc1
InChIInChI=1S/C13H15NO3/c1-2-8-3-5-9(6-4-8)14-12(15)10-7-11(10)13(16)17/h3-6,10-11H,2,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyGJFYLTRBRLMMLS-UHFFFAOYSA-N
XLogP1.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-[(4-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 853832
1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142108
2-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868227
1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109140027
2-[[4-(carbamoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868238
2-[(3-ethylphenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390366
2-N-(4-ethylphenyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142121
2-[4-[4-[(4-ethylphenyl)carbamoylamino]phenyl]benzoyl]cyclopropane-1-carboxylic acid
CID 68967095
1-N-(2,4-difluorophenyl)-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142120
2-[(4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270389
4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390370
2-N-(4-ethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142087

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 54918615) is 2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid is CCc1ccc(NC(=O)C2CC2C(=O)O)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is GJFYLTRBRLMMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-8-3-5-9(6-4-8)14-12(15)10-7-11(10)13(16)17/h3-6,10-11H,2,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 54918615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).