2-(1-cyclopropylethylcarbamoyl)benzoic acid

C13H15NO3 — CID 43533392

IUPAC2-(1-cyclopropylethylcarbamoyl)benzoic acid
SMILESCC(NC(=O)c1ccccc1C(=O)O)C1CC1
InChIInChI=1S/C13H15NO3/c1-8(9-6-7-9)14-12(15)10-4-2-3-5-11(10)13(16)17/h2-5,8-9H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyBDIIBLAHPFOGTK-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.91
Rot. Bonds4

About 2-(1-cyclopropylethylcarbamoyl)benzoic acid

2-(1-cyclopropylethylcarbamoyl)benzoic acid (PubChem CID 43533392) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(1-cyclopropylethylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-(1-cyclopropylethylcarbamoyl)benzoic acid
PubChem CID43533392
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-(1-cyclopropylethylcarbamoyl)benzoic acid
SMILESCC(NC(=O)c1ccccc1C(=O)O)C1CC1
InChIInChI=1S/C13H15NO3/c1-8(9-6-7-9)14-12(15)10-4-2-3-5-11(10)13(16)17/h2-5,8-9H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyBDIIBLAHPFOGTK-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

N-(1-cyclopropylethyl)-2,3-difluorobenzamide
CID 62648544
2-hydroxy-N-(1-piperidin-4-ylethyl)benzamide
CID 43523239
N-[(1R)-1-cyclohexylethyl]-2-(propan-2-ylamino)benzamide
CID 81389065
3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide
CID 106544366
4-benzamido-N-(1-cyclopropylethyl)benzamide
CID 134006926
2-fluoro-N-(1-piperidin-4-ylethyl)benzamide
CID 43523234
2-[2-(1-cyclopentylethylamino)-2-oxoethyl]benzoic acid
CID 104601586
N-[(1R)-1-cyclopropylethyl]-2,2-diphenylacetamide
CID 8855432
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid
CID 93366028
N-(1-cyclopropylethyl)-2-(4-hydroxybut-1-ynyl)benzamide
CID 54921713
N-(1-cyclopentylethyl)-3-hydroxy-2-methylbenzamide
CID 82828967
2-(1-cyclopropylethylcarbamoylamino)-3-methylbenzoic acid
CID 61197742

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylethylcarbamoyl)benzoic acid?
The IUPAC name of 2-(1-cyclopropylethylcarbamoyl)benzoic acid (CID 43533392) is 2-(1-cyclopropylethylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-(1-cyclopropylethylcarbamoyl)benzoic acid?
The canonical SMILES for 2-(1-cyclopropylethylcarbamoyl)benzoic acid is CC(NC(=O)c1ccccc1C(=O)O)C1CC1.
What is the InChIKey of 2-(1-cyclopropylethylcarbamoyl)benzoic acid?
The InChIKey is BDIIBLAHPFOGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8(9-6-7-9)14-12(15)10-4-2-3-5-11(10)13(16)17/h2-5,8-9H,6-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(1-cyclopropylethylcarbamoyl)benzoic acid?
2-(1-cyclopropylethylcarbamoyl)benzoic 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-(1-cyclopropylethylcarbamoyl)benzoic acid is sourced from PubChem (CID 43533392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).