1-ethyl-2-(phenylcarbamoyl)cyclopropane-1-carboxylic acid

C13H15NO3 — CID 67468915

IUPAC1-ethyl-2-(phenylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCCC1(C(=O)O)CC1C(=O)Nc1ccccc1
InChIInChI=1S/C13H15NO3/c1-2-13(12(16)17)8-10(13)11(15)14-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,14,15)(H,16,17)
InChIKeyZUWJLWFTLMPQDW-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.13
Rot. Bonds4

About 1-ethyl-2-(phenylcarbamoyl)cyclopropane-1-carboxylic acid

1-ethyl-2-(phenylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 67468915) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-ethyl-2-(phenylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-(phenylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID67468915
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-ethyl-2-(phenylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCCC1(C(=O)O)CC1C(=O)Nc1ccccc1
InChIInChI=1S/C13H15NO3/c1-2-13(12(16)17)8-10(13)11(15)14-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,14,15)(H,16,17)
InChIKeyZUWJLWFTLMPQDW-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide
CID 7946169
trans-(1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid
CID 70637110
2,2-dimethyl-N-phenylcyclopentane-1-carboxamide
CID 103846294
3-fluoro-3-methyl-N-phenylcyclobutane-1-carboxamide
CID 178058411
(3S)-2,2-dimethyl-5-oxo-N-phenyloxolane-3-carboxamide
CID 929902
3-methyl-N-phenylcyclobutane-1-carboxamide
CID 121011883
cis-(1R,3R)-1,2,2-trimethyl-1-N,3-N-diphenylcyclopentane-1,3-dicarboxamide
CID 28765338
5,5-dimethyl-2-oxo-N-phenyloxolane-3-carboxamide
CID 3473493
(1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 780566
(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 6932479
(1R)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7432800
N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837156

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(phenylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-ethyl-2-(phenylcarbamoyl)cyclopropane-1-carboxylic acid (CID 67468915) is 1-ethyl-2-(phenylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-(phenylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-ethyl-2-(phenylcarbamoyl)cyclopropane-1-carboxylic acid is CCC1(C(=O)O)CC1C(=O)Nc1ccccc1.
What is the InChIKey of 1-ethyl-2-(phenylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is ZUWJLWFTLMPQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-13(12(16)17)8-10(13)11(15)14-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 1-ethyl-2-(phenylcarbamoyl)cyclopropane-1-carboxylic acid?
1-ethyl-2-(phenylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(phenylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 67468915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).