4-acetamido-3-cyclopropylbenzoic acid

C12H13NO3 — CID 167726350

IUPAC4-acetamido-3-cyclopropylbenzoic acid
SMILESCC(=O)Nc1ccc(C(=O)O)cc1C1CC1
InChIInChI=1S/C12H13NO3/c1-7(14)13-11-5-4-9(12(15)16)6-10(11)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyRGHYZGIHWAAIQZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.22
Rot. Bonds3

About 4-acetamido-3-cyclopropylbenzoic acid

4-acetamido-3-cyclopropylbenzoic acid (PubChem CID 167726350) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-acetamido-3-cyclopropylbenzoic acid.

Molecular Properties

Compound Name4-acetamido-3-cyclopropylbenzoic acid
PubChem CID167726350
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name4-acetamido-3-cyclopropylbenzoic acid
SMILESCC(=O)Nc1ccc(C(=O)O)cc1C1CC1
InChIInChI=1S/C12H13NO3/c1-7(14)13-11-5-4-9(12(15)16)6-10(11)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyRGHYZGIHWAAIQZ-UHFFFAOYSA-N
XLogP2.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-4-(methylamino)benzoic acid
CID 176970275
3-cyclopropyl-4-hydrazinylbenzoic acid;hydrochloride
CID 70240668
3,4-diacetamidobenzoic acid
CID 2735923
4-[(4-cyclohexylbenzoyl)amino]-3-cyclopentylbenzoic acid
CID 174448388
(1S,8S)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carboxylic acid
CID 124564050
4-acetamido-3-(aminomethyl)benzoic acid
CID 19359198
2-cyclopentylterephthalic acid
CID 174865784
3-cyclohexyl-4-hydroxybenzoic acid
CID 19884474
3-acetamido-4-(hydroxymethyl)benzoic acid
CID 167726938
3-cyclohexyl-4-methoxybenzoic acid
CID 21199438
4-methyl-3-pyrrolidin-3-ylbenzoic acid
CID 170156424
3-acetamido-4-fluorosulfonylbenzoic acid
CID 167739166

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-3-cyclopropylbenzoic acid?
The IUPAC name of 4-acetamido-3-cyclopropylbenzoic acid (CID 167726350) is 4-acetamido-3-cyclopropylbenzoic acid.
What is the SMILES notation for 4-acetamido-3-cyclopropylbenzoic acid?
The canonical SMILES for 4-acetamido-3-cyclopropylbenzoic acid is CC(=O)Nc1ccc(C(=O)O)cc1C1CC1.
What is the InChIKey of 4-acetamido-3-cyclopropylbenzoic acid?
The InChIKey is RGHYZGIHWAAIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-7(14)13-11-5-4-9(12(15)16)6-10(11)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-acetamido-3-cyclopropylbenzoic acid?
4-acetamido-3-cyclopropylbenzoic acid has a molecular weight of 219.24 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-3-cyclopropylbenzoic acid is sourced from PubChem (CID 167726350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).