5-[2-(2-methylphenyl)hydrazinyl]-5-oxopentanoic acid

C12H16N2O3 — CID 143636420

IUPAC5-[2-(2-methylphenyl)hydrazinyl]-5-oxopentanoic acid
SMILESCc1ccccc1NNC(=O)CCCC(=O)O
InChIInChI=1S/C12H16N2O3/c1-9-5-2-3-6-10(9)13-14-11(15)7-4-8-12(16)17/h2-3,5-6,13H,4,7-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyORVYIBVUYWQSPJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.69
Rot. Bonds6

About 5-[2-(2-methylphenyl)hydrazinyl]-5-oxopentanoic acid

5-[2-(2-methylphenyl)hydrazinyl]-5-oxopentanoic acid (PubChem CID 143636420) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-[2-(2-methylphenyl)hydrazinyl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(2-methylphenyl)hydrazinyl]-5-oxopentanoic acid
PubChem CID143636420
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-[2-(2-methylphenyl)hydrazinyl]-5-oxopentanoic acid
SMILESCc1ccccc1NNC(=O)CCCC(=O)O
InChIInChI=1S/C12H16N2O3/c1-9-5-2-3-6-10(9)13-14-11(15)7-4-8-12(16)17/h2-3,5-6,13H,4,7-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyORVYIBVUYWQSPJ-UHFFFAOYSA-N
XLogP1.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[2-(2-methylphenyl)hydrazinyl]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-methylphenyl)heptanehydrazide
CID 11955771
3-(benzenesulfonyl)-N'-(2-methylphenyl)propanehydrazide
CID 11955824
4-[(2-methylphenyl)sulfamoyl]butanoic acid
CID 28513713
4-[2-(2-methylanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 82182530
5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 78911171
pentanedioic acid;toluene
CID 159822689
5-[[3-[(2-methylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoic acid
CID 17377377
5-(4-hydroxy-2-methylanilino)-5-oxopentanoic acid
CID 27407074
5-[4-[2-(2-methylanilino)-2-oxoethyl]piperazin-1-yl]-5-oxopentanoic acid
CID 18521567
pentanedioic acid;phenol
CID 160999244
1-N',8-N'-diphenyloctanedihydrazide
CID 14872757
2-hydroxy-2-methyl-N'-(2-methylphenyl)propanehydrazide
CID 785622

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylphenyl)hydrazinyl]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(2-methylphenyl)hydrazinyl]-5-oxopentanoic acid (CID 143636420) is 5-[2-(2-methylphenyl)hydrazinyl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(2-methylphenyl)hydrazinyl]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(2-methylphenyl)hydrazinyl]-5-oxopentanoic acid is Cc1ccccc1NNC(=O)CCCC(=O)O.
What is the InChIKey of 5-[2-(2-methylphenyl)hydrazinyl]-5-oxopentanoic acid?
The InChIKey is ORVYIBVUYWQSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9-5-2-3-6-10(9)13-14-11(15)7-4-8-12(16)17/h2-3,5-6,13H,4,7-8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-[2-(2-methylphenyl)hydrazinyl]-5-oxopentanoic acid?
5-[2-(2-methylphenyl)hydrazinyl]-5-oxopentanoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylphenyl)hydrazinyl]-5-oxopentanoic acid is sourced from PubChem (CID 143636420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).