3-[(2-aminobenzoyl)amino]-2-methylbenzoic acid

C15H14N2O3 — CID 577561

IUPAC3-[(2-aminobenzoyl)amino]-2-methylbenzoic acid
SMILESCc1c(NC(=O)c2ccccc2N)cccc1C(=O)O
InChIInChI=1S/C15H14N2O3/c1-9-10(15(19)20)6-4-8-13(9)17-14(18)11-5-2-3-7-12(11)16/h2-8H,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyDZZYPSRVCBLBSY-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.53
Rot. Bonds3

About 3-[(2-aminobenzoyl)amino]-2-methylbenzoic acid

3-[(2-aminobenzoyl)amino]-2-methylbenzoic acid (PubChem CID 577561) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-[(2-aminobenzoyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name3-[(2-aminobenzoyl)amino]-2-methylbenzoic acid
PubChem CID577561
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-[(2-aminobenzoyl)amino]-2-methylbenzoic acid
SMILESCc1c(NC(=O)c2ccccc2N)cccc1C(=O)O
InChIInChI=1S/C15H14N2O3/c1-9-10(15(19)20)6-4-8-13(9)17-14(18)11-5-2-3-7-12(11)16/h2-8H,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyDZZYPSRVCBLBSY-UHFFFAOYSA-N
XLogP2.53
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminobenzoyl)amino]-2-methylbenzoic acid?
The IUPAC name of 3-[(2-aminobenzoyl)amino]-2-methylbenzoic acid (CID 577561) is 3-[(2-aminobenzoyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 3-[(2-aminobenzoyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 3-[(2-aminobenzoyl)amino]-2-methylbenzoic acid is Cc1c(NC(=O)c2ccccc2N)cccc1C(=O)O.
What is the InChIKey of 3-[(2-aminobenzoyl)amino]-2-methylbenzoic acid?
The InChIKey is DZZYPSRVCBLBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-9-10(15(19)20)6-4-8-13(9)17-14(18)11-5-2-3-7-12(11)16/h2-8H,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(2-aminobenzoyl)amino]-2-methylbenzoic acid?
3-[(2-aminobenzoyl)amino]-2-methylbenzoic acid has a molecular weight of 270.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminobenzoyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 577561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).