2-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid

C11H16N2O2 — CID 83858847

IUPAC2-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid
SMILESCC(C)(C(=O)O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C11H16N2O2/c1-11(2,10(14)15)9-7-5-3-4-6-8(7)12-13-9/h3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyWSACQCUVRJZXDK-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.65
Rot. Bonds2

About 2-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid

2-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid (PubChem CID 83858847) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid
PubChem CID83858847
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid
SMILESCC(C)(C(=O)O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C11H16N2O2/c1-11(2,10(14)15)9-7-5-3-4-6-8(7)12-13-9/h3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyWSACQCUVRJZXDK-UHFFFAOYSA-N
XLogP1.65
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid (CID 83858847) is 2-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid is CC(C)(C(=O)O)c1n[nH]c2c1CCCC2.
What is the InChIKey of 2-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid?
The InChIKey is WSACQCUVRJZXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,10(14)15)9-7-5-3-4-6-8(7)12-13-9/h3-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid?
2-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid is sourced from PubChem (CID 83858847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).