2-(3-carboxylatoanilino)benzoate

C14H9NO4-2 — CID 36690650

IUPAC2-(3-carboxylatoanilino)benzoate
SMILESO=C([O-])c1cccc(Nc2ccccc2C(=O)[O-])c1
InChIInChI=1S/C14H11NO4/c16-13(17)9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)/p-2
InChIKeyXBGBRSWGOUAIBM-UHFFFAOYSA-L
MW255.23 g/mol
LogP0.16
Rot. Bonds4

About 2-(3-carboxylatoanilino)benzoate

2-(3-carboxylatoanilino)benzoate (PubChem CID 36690650) has the molecular formula C14H9NO4-2 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-(3-carboxylatoanilino)benzoate.

Molecular Properties

Compound Name2-(3-carboxylatoanilino)benzoate
PubChem CID36690650
Molecular FormulaC14H9NO4-2
Molecular Weight255.23 g/mol
Exact Mass255.05
IUPAC Name2-(3-carboxylatoanilino)benzoate
SMILESO=C([O-])c1cccc(Nc2ccccc2C(=O)[O-])c1
InChIInChI=1S/C14H11NO4/c16-13(17)9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)/p-2
InChIKeyXBGBRSWGOUAIBM-UHFFFAOYSA-L
XLogP0.16
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyanilino)benzoate
CID 6943552
2-[3-(2-carboxyanilino)anilino]benzoic acid
CID 21179580
2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate
CID 4200241
2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 6949581
2-(2,6-difluoroanilino)benzoate
CID 163199732
2-amino-3-(3-carbamoylanilino)benzoic acid
CID 107809791
2-[(3-carbamoylphenyl)carbamoyl]benzoate
CID 3545155
zinc bis(2-benzamidobenzoate)
CID 67586546
copper 2-(2,3-dimethylanilino)benzoate
CID 135564277
bis(benzene-1,3-dicarboxylate);ruthenium(4+)
CID 88500443
benzene-1,3-dicarboxylate;lead(2+)
CID 56842371
bis(2-anilinophenyl)methanone
CID 141301141

Frequently Asked Questions

What is the IUPAC name of 2-(3-carboxylatoanilino)benzoate?
The IUPAC name of 2-(3-carboxylatoanilino)benzoate (CID 36690650) is 2-(3-carboxylatoanilino)benzoate.
What is the SMILES notation for 2-(3-carboxylatoanilino)benzoate?
The canonical SMILES for 2-(3-carboxylatoanilino)benzoate is O=C([O-])c1cccc(Nc2ccccc2C(=O)[O-])c1.
What is the InChIKey of 2-(3-carboxylatoanilino)benzoate?
The InChIKey is XBGBRSWGOUAIBM-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H11NO4/c16-13(17)9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)/p-2.
What are the key properties of 2-(3-carboxylatoanilino)benzoate?
2-(3-carboxylatoanilino)benzoate has a molecular weight of 255.23 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carboxylatoanilino)benzoate is sourced from PubChem (CID 36690650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).