2-(4-methyl-1-oxophthalazin-2-yl)propanoic acid

C12H12N2O3 — CID 2854092

IUPAC2-(4-methyl-1-oxophthalazin-2-yl)propanoic acid
SMILESCc1nn(C(C)C(=O)O)c(=O)c2ccccc12
InChIInChI=1S/C12H12N2O3/c1-7-9-5-3-4-6-10(9)11(15)14(13-7)8(2)12(16)17/h3-6,8H,1-2H3,(H,16,17)
InChIKeyWQKSXQSNUARHNX-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.35
Rot. Bonds2

About 2-(4-methyl-1-oxophthalazin-2-yl)propanoic acid

2-(4-methyl-1-oxophthalazin-2-yl)propanoic acid (PubChem CID 2854092) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(4-methyl-1-oxophthalazin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-methyl-1-oxophthalazin-2-yl)propanoic acid
PubChem CID2854092
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-(4-methyl-1-oxophthalazin-2-yl)propanoic acid
SMILESCc1nn(C(C)C(=O)O)c(=O)c2ccccc12
InChIInChI=1S/C12H12N2O3/c1-7-9-5-3-4-6-10(9)11(15)14(13-7)8(2)12(16)17/h3-6,8H,1-2H3,(H,16,17)
InChIKeyWQKSXQSNUARHNX-UHFFFAOYSA-N
XLogP1.35
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methyl-1-oxophthalazin-2-yl)propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)propanoic acid?
The IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)propanoic acid (CID 2854092) is 2-(4-methyl-1-oxophthalazin-2-yl)propanoic acid.
What is the SMILES notation for 2-(4-methyl-1-oxophthalazin-2-yl)propanoic acid?
The canonical SMILES for 2-(4-methyl-1-oxophthalazin-2-yl)propanoic acid is Cc1nn(C(C)C(=O)O)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-methyl-1-oxophthalazin-2-yl)propanoic acid?
The InChIKey is WQKSXQSNUARHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-7-9-5-3-4-6-10(9)11(15)14(13-7)8(2)12(16)17/h3-6,8H,1-2H3,(H,16,17).
What are the key properties of 2-(4-methyl-1-oxophthalazin-2-yl)propanoic acid?
2-(4-methyl-1-oxophthalazin-2-yl)propanoic acid has a molecular weight of 232.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxophthalazin-2-yl)propanoic acid is sourced from PubChem (CID 2854092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).