2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-yl)acetic acid

C11H16N2O2 — CID 83862103

IUPAC2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-yl)acetic acid
SMILESCC1(C)Cc2[nH]ncc2C(CC(=O)O)C1
InChIInChI=1S/C11H16N2O2/c1-11(2)4-7(3-10(14)15)8-6-12-13-9(8)5-11/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyREXUOVWJDWYOAL-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.94
Rot. Bonds2

About 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-yl)acetic acid

2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-yl)acetic acid (PubChem CID 83862103) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-yl)acetic acid
PubChem CID83862103
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-yl)acetic acid
SMILESCC1(C)Cc2[nH]ncc2C(CC(=O)O)C1
InChIInChI=1S/C11H16N2O2/c1-11(2)4-7(3-10(14)15)8-6-12-13-9(8)5-11/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyREXUOVWJDWYOAL-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-[(1S,2S,10S,11R,12R,13S,14S,17R,18R)-11-ethyl-12-hydroxy-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-yl]pentanoic acid
CID 145177850
(1R,2S,5S,10S,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid
CID 45482895
1'H-Lup-20(29)-eno[3,2-c]pyrazol-28-oic acid
CID 56928318
4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 56807087
(1R,2S,5S,8R,9S,10S,14R,15R,23R)-1,2,8,9,15,22,22-heptamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid
CID 56669989
(1R,2R,10R,13R,14R,17S,20S,21R,22R)-2,9,9,13,14-pentamethyl-20-propan-2-yl-6,7-diazahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-4(8),5-diene-17-carboxylic acid
CID 56928317
(4R)-4-[(1S,2R,13S,14S,17R,18R)-2,9,9,18-tetramethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,10-trien-17-yl]pentanoic acid
CID 71463075
methyl 4,5,6,7-tetrahydro-1H-indazole-6-carboxylate
CID 54595497
methyl 4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 55279075
4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid
CID 68504449
4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 71607210
4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 71695302

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-yl)acetic acid?
The IUPAC name of 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-yl)acetic acid (CID 83862103) is 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-yl)acetic acid.
What is the SMILES notation for 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-yl)acetic acid?
The canonical SMILES for 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-yl)acetic acid is CC1(C)Cc2[nH]ncc2C(CC(=O)O)C1.
What is the InChIKey of 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-yl)acetic acid?
The InChIKey is REXUOVWJDWYOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2)4-7(3-10(14)15)8-6-12-13-9(8)5-11/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-yl)acetic acid?
2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-yl)acetic acid has a molecular weight of 208.26 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-yl)acetic acid is sourced from PubChem (CID 83862103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).