2-methyl-3-(1-methyl-3-oxo-2H-indazol-5-yl)propanoic acid

C12H14N2O3 — CID 105494198

IUPAC2-methyl-3-(1-methyl-3-oxo-2H-indazol-5-yl)propanoic acid
SMILESCC(Cc1ccc2c(c1)c(=O)[nH]n2C)C(=O)O
InChIInChI=1S/C12H14N2O3/c1-7(12(16)17)5-8-3-4-10-9(6-8)11(15)13-14(10)2/h3-4,6-7H,5H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyYYQZFRZFPGRUKK-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.13
Rot. Bonds3

About 2-methyl-3-(1-methyl-3-oxo-2H-indazol-5-yl)propanoic acid

2-methyl-3-(1-methyl-3-oxo-2H-indazol-5-yl)propanoic acid (PubChem CID 105494198) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-methyl-3-(1-methyl-3-oxo-2H-indazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(1-methyl-3-oxo-2H-indazol-5-yl)propanoic acid
PubChem CID105494198
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-methyl-3-(1-methyl-3-oxo-2H-indazol-5-yl)propanoic acid
SMILESCC(Cc1ccc2c(c1)c(=O)[nH]n2C)C(=O)O
InChIInChI=1S/C12H14N2O3/c1-7(12(16)17)5-8-3-4-10-9(6-8)11(15)13-14(10)2/h3-4,6-7H,5H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyYYQZFRZFPGRUKK-UHFFFAOYSA-N
XLogP1.13
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(1,2,3-trimethylindol-6-yl)propanoic acid
CID 117365476
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
3-(4-fluoro-3-phenylphenyl)-2-methylpropanoic acid
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3-(2-tert-butyl-1-methylbenzimidazol-5-yl)-2-methylpropanoic acid
CID 117438712
3-(2,3-dimethylindazol-6-yl)-2-methylpropanoic acid
CID 84726656
3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl)-2-methylpropanoic acid
CID 116995010
3-[3,4-bis(methylsulfanyl)phenyl]-2-methylpropanoic acid
CID 117394680
3-(4-ethyl-3-methylphenyl)-2-methylpropanoic acid
CID 117295148
3-[3-(2-hydroxyethyl)phenyl]-2-methylpropanoic acid
CID 115112810
3-[4-(carboxymethyl)-3-methylphenyl]-2-methylpropanoic acid
CID 171338440
3-(6-hydroxynaphthalen-2-yl)-2-methylpropanoic acid
CID 174589043
3-(4-chloro-3-methylphenyl)-2-methylpropanoic acid
CID 83703696

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-methyl-3-oxo-2H-indazol-5-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(1-methyl-3-oxo-2H-indazol-5-yl)propanoic acid (CID 105494198) is 2-methyl-3-(1-methyl-3-oxo-2H-indazol-5-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(1-methyl-3-oxo-2H-indazol-5-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(1-methyl-3-oxo-2H-indazol-5-yl)propanoic acid is CC(Cc1ccc2c(c1)c(=O)[nH]n2C)C(=O)O.
What is the InChIKey of 2-methyl-3-(1-methyl-3-oxo-2H-indazol-5-yl)propanoic acid?
The InChIKey is YYQZFRZFPGRUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7(12(16)17)5-8-3-4-10-9(6-8)11(15)13-14(10)2/h3-4,6-7H,5H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-methyl-3-(1-methyl-3-oxo-2H-indazol-5-yl)propanoic acid?
2-methyl-3-(1-methyl-3-oxo-2H-indazol-5-yl)propanoic acid has a molecular weight of 234.25 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-methyl-3-oxo-2H-indazol-5-yl)propanoic acid is sourced from PubChem (CID 105494198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).