2-(2-carboxy-5-methylanilino)-3-methylbenzoic acid

C16H15NO4 — CID 10779478

IUPAC2-(2-carboxy-5-methylanilino)-3-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(Nc2c(C)cccc2C(=O)O)c1
InChIInChI=1S/C16H15NO4/c1-9-6-7-11(15(18)19)13(8-9)17-14-10(2)4-3-5-12(14)16(20)21/h3-8,17H,1-2H3,(H,18,19)(H,20,21)
InChIKeyAQDGEUMMMQRBPR-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.44
Rot. Bonds4

About 2-(2-carboxy-5-methylanilino)-3-methylbenzoic acid

2-(2-carboxy-5-methylanilino)-3-methylbenzoic acid (PubChem CID 10779478) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(2-carboxy-5-methylanilino)-3-methylbenzoic acid.

Molecular Properties

Compound Name2-(2-carboxy-5-methylanilino)-3-methylbenzoic acid
PubChem CID10779478
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-(2-carboxy-5-methylanilino)-3-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(Nc2c(C)cccc2C(=O)O)c1
InChIInChI=1S/C16H15NO4/c1-9-6-7-11(15(18)19)13(8-9)17-14-10(2)4-3-5-12(14)16(20)21/h3-8,17H,1-2H3,(H,18,19)(H,20,21)
InChIKeyAQDGEUMMMQRBPR-UHFFFAOYSA-N
XLogP3.44
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxy-5-methylanilino)-3-methylbenzoic acid?
The IUPAC name of 2-(2-carboxy-5-methylanilino)-3-methylbenzoic acid (CID 10779478) is 2-(2-carboxy-5-methylanilino)-3-methylbenzoic acid.
What is the SMILES notation for 2-(2-carboxy-5-methylanilino)-3-methylbenzoic acid?
The canonical SMILES for 2-(2-carboxy-5-methylanilino)-3-methylbenzoic acid is Cc1ccc(C(=O)O)c(Nc2c(C)cccc2C(=O)O)c1.
What is the InChIKey of 2-(2-carboxy-5-methylanilino)-3-methylbenzoic acid?
The InChIKey is AQDGEUMMMQRBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-9-6-7-11(15(18)19)13(8-9)17-14-10(2)4-3-5-12(14)16(20)21/h3-8,17H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-(2-carboxy-5-methylanilino)-3-methylbenzoic acid?
2-(2-carboxy-5-methylanilino)-3-methylbenzoic acid has a molecular weight of 285.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxy-5-methylanilino)-3-methylbenzoic acid is sourced from PubChem (CID 10779478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).