3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid

C16H16N2O4 — CID 134880122

IUPAC3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NNc1cc(C(=O)O)ccc1C
InChIInChI=1S/C16H16N2O4/c1-9-3-5-11(15(19)20)7-13(9)17-18-14-8-12(16(21)22)6-4-10(14)2/h3-8,17-18H,1-2H3,(H,19,20)(H,21,22)
InChIKeyYUCYLLZKJUOKCR-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.14
Rot. Bonds5

About 3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid

3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid (PubChem CID 134880122) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid
PubChem CID134880122
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NNc1cc(C(=O)O)ccc1C
InChIInChI=1S/C16H16N2O4/c1-9-3-5-11(15(19)20)7-13(9)17-18-14-8-12(16(21)22)6-4-10(14)2/h3-8,17-18H,1-2H3,(H,19,20)(H,21,22)
InChIKeyYUCYLLZKJUOKCR-UHFFFAOYSA-N
XLogP3.14
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylcarbamoylamino)-4-methylbenzoic acid
CID 61196836
4-methyl-3-(propanoylamino)benzoic acid
CID 888092
3-[(3-carboxy-2-methylbutanoyl)amino]-4-methylbenzoic acid
CID 103497242
3-[2-(tert-butylamino)ethylamino]-4-methylbenzoic acid
CID 107445147
4-methyl-3-(2-methylpropylamino)benzoic acid
CID 43727455
3-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-4-methylbenzoic acid
CID 119219462
3-(but-2-ynoylamino)-4-methylbenzoic acid
CID 107986394
3-(carboxymethylsulfonylamino)-4-methylbenzoic acid
CID 43715539
3-(dimethylsulfamoylamino)-4-methylbenzoic acid
CID 28788003
3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid
CID 107674655
1,4-dioxane;3-hydrazinyl-4-methylbenzoic acid;hydrochloride
CID 158138616
4-methyl-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 115590008

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid?
The IUPAC name of 3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid (CID 134880122) is 3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid.
What is the SMILES notation for 3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid?
The canonical SMILES for 3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1NNc1cc(C(=O)O)ccc1C.
What is the InChIKey of 3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid?
The InChIKey is YUCYLLZKJUOKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-9-3-5-11(15(19)20)7-13(9)17-18-14-8-12(16(21)22)6-4-10(14)2/h3-8,17-18H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid?
3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid has a molecular weight of 300.31 g/mol, XLogP of 3.14, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid is sourced from PubChem (CID 134880122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).