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

C12H18N2O2 — CID 83858861

IUPAC2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid
SMILESCC(C)(Cc1n[nH]c2c1CCCC2)C(=O)O
InChIInChI=1S/C12H18N2O2/c1-12(2,11(15)16)7-10-8-5-3-4-6-9(8)13-14-10/h3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyVTDXVQCINSWKOD-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.94
Rot. Bonds3

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

2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid (PubChem CID 83858861) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid
PubChem CID83858861
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid
SMILESCC(C)(Cc1n[nH]c2c1CCCC2)C(=O)O
InChIInChI=1S/C12H18N2O2/c1-12(2,11(15)16)7-10-8-5-3-4-6-9(8)13-14-10/h3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyVTDXVQCINSWKOD-UHFFFAOYSA-N
XLogP1.94
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-2-amino-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid
CID 102354753
3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoate
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4,5,6,7-tetrahydro-1H-indazol-3-ylmethanamine
CID 3163200
methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azanium
CID 7236612
2,3-dimethyl-2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)butanoic acid
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(2S)-2-(4-hydroxyphenyl)-2-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]acetic acid
CID 97207894
1-acetyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidine-3-carboxamide
CID 138036020
N-tert-butyl-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazol-3-amine
CID 63531625
N-ethyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-amine
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid (CID 83858861) is 2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid is CC(C)(Cc1n[nH]c2c1CCCC2)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid?
The InChIKey is VTDXVQCINSWKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,11(15)16)7-10-8-5-3-4-6-9(8)13-14-10/h3-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid?
2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid has a molecular weight of 222.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid is sourced from PubChem (CID 83858861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).