2-methyl-3-(4-methyl-2H-indazol-3-yl)propanoic acid

C12H14N2O2 — CID 84724277

IUPAC2-methyl-3-(4-methyl-2H-indazol-3-yl)propanoic acid
SMILESCc1cccc2n[nH]c(CC(C)C(=O)O)c12
InChIInChI=1S/C12H14N2O2/c1-7-4-3-5-9-11(7)10(14-13-9)6-8(2)12(15)16/h3-5,8H,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyYYBIXEZVCDGTMY-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.13
Rot. Bonds3

About 2-methyl-3-(4-methyl-2H-indazol-3-yl)propanoic acid

2-methyl-3-(4-methyl-2H-indazol-3-yl)propanoic acid (PubChem CID 84724277) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-methyl-3-(4-methyl-2H-indazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(4-methyl-2H-indazol-3-yl)propanoic acid
PubChem CID84724277
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-methyl-3-(4-methyl-2H-indazol-3-yl)propanoic acid
SMILESCc1cccc2n[nH]c(CC(C)C(=O)O)c12
InChIInChI=1S/C12H14N2O2/c1-7-4-3-5-9-11(7)10(14-13-9)6-8(2)12(15)16/h3-5,8H,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyYYBIXEZVCDGTMY-UHFFFAOYSA-N
XLogP2.13
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methyl-2H-indazol-3-yl)ethanol
CID 133059500
2-methyl-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]propanoic acid
CID 105423639
3-(7-bromo-2H-indazol-3-yl)-2-methylpropanoic acid
CID 84730633
3-(3,4-dimethylindazol-2-yl)-2-methylpropanoic acid
CID 84726640
2-(3-ethyl-2H-indazol-4-yl)acetic acid
CID 84672219
trimethyl-(4-methyl-2H-indazol-3-yl)silane
CID 76846112
2-methyl-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]propanoic acid
CID 105423638
(2R)-2-amino-3-(2H-indazol-3-yl)propanoic acid
CID 90478787
4-methyl-1H-indazole-3-carboxylic acid;hydrochloride
CID 67853661
3-[4-(3-bromophenyl)-1H-pyrazol-5-yl]-2-methylpropanoic acid
CID 105424053
3-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid
CID 84730662
2-methyl-3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propanoic acid
CID 116965780

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methyl-2H-indazol-3-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(4-methyl-2H-indazol-3-yl)propanoic acid (CID 84724277) is 2-methyl-3-(4-methyl-2H-indazol-3-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(4-methyl-2H-indazol-3-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(4-methyl-2H-indazol-3-yl)propanoic acid is Cc1cccc2n[nH]c(CC(C)C(=O)O)c12.
What is the InChIKey of 2-methyl-3-(4-methyl-2H-indazol-3-yl)propanoic acid?
The InChIKey is YYBIXEZVCDGTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7-4-3-5-9-11(7)10(14-13-9)6-8(2)12(15)16/h3-5,8H,6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-methyl-3-(4-methyl-2H-indazol-3-yl)propanoic acid?
2-methyl-3-(4-methyl-2H-indazol-3-yl)propanoic acid has a molecular weight of 218.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methyl-2H-indazol-3-yl)propanoic acid is sourced from PubChem (CID 84724277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).