2-(2-amino-3-benzoylphenyl)acetic acid

C15H13NO3 — CID 2136

IUPAC2-(2-amino-3-benzoylphenyl)acetic acid
SMILESNc1c(CC(=O)O)cccc1C(=O)c1ccccc1
InChIInChI=1S/C15H13NO3/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10/h1-8H,9,16H2,(H,17,18)
InChIKeySOYCMDCMZDHQFP-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.13
Rot. Bonds4

About 2-(2-amino-3-benzoylphenyl)acetic acid

2-(2-amino-3-benzoylphenyl)acetic acid (PubChem CID 2136) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-(2-amino-3-benzoylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-3-benzoylphenyl)acetic acid
PubChem CID2136
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2-(2-amino-3-benzoylphenyl)acetic acid
SMILESNc1c(CC(=O)O)cccc1C(=O)c1ccccc1
InChIInChI=1S/C15H13NO3/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10/h1-8H,9,16H2,(H,17,18)
InChIKeySOYCMDCMZDHQFP-UHFFFAOYSA-N
XLogP2.13
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Bromfenac
CID 60726
Nepafenac
CID 151075
3,3'-Dicarboxybenzidine
CID 16475
Bromfenac sodium anhydrous
CID 23693301
2-Amino-3-methylbenzoic acid
CID 78101
5,5'-Methylenedianthranilic acid
CID 80444
Sodium 2-(2-amino-3-benzoylphenyl)acetate
CID 23665728
2-(2-Aminobenzoyl)benzoic acid
CID 70847
2-Amino-3-ethylbenzoic acid
CID 226044
Isatinate
CID 3782988
2-Amino-gamma-oxobenzenebutanoic acid
CID 6420149
Sodium 2-(2-amino-3-benzoyl-5-chlorophenyl)acetate
CID 23684693

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-benzoylphenyl)acetic acid?
The IUPAC name of 2-(2-amino-3-benzoylphenyl)acetic acid (CID 2136) is 2-(2-amino-3-benzoylphenyl)acetic acid.
What is the SMILES notation for 2-(2-amino-3-benzoylphenyl)acetic acid?
The canonical SMILES for 2-(2-amino-3-benzoylphenyl)acetic acid is Nc1c(CC(=O)O)cccc1C(=O)c1ccccc1.
What is the InChIKey of 2-(2-amino-3-benzoylphenyl)acetic acid?
The InChIKey is SOYCMDCMZDHQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10/h1-8H,9,16H2,(H,17,18).
What are the key properties of 2-(2-amino-3-benzoylphenyl)acetic acid?
2-(2-amino-3-benzoylphenyl)acetic acid has a molecular weight of 255.27 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-benzoylphenyl)acetic acid is sourced from PubChem (CID 2136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).