2-(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)propanoic acid

C11H16N2O2 — CID 83909228

IUPAC2-(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)propanoic acid
SMILESCC(C(=O)O)C1CCCc2cnn(C)c21
InChIInChI=1S/C11H16N2O2/c1-7(11(14)15)9-5-3-4-8-6-12-13(2)10(8)9/h6-7,9H,3-5H2,1-2H3,(H,14,15)
InChIKeyVZWARDLOQQWPGC-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.56
Rot. Bonds2

About 2-(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)propanoic acid

2-(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)propanoic acid (PubChem CID 83909228) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)propanoic acid.

Molecular Properties

Compound Name2-(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)propanoic acid
PubChem CID83909228
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)propanoic acid
SMILESCC(C(=O)O)C1CCCc2cnn(C)c21
InChIInChI=1S/C11H16N2O2/c1-7(11(14)15)9-5-3-4-8-6-12-13(2)10(8)9/h6-7,9H,3-5H2,1-2H3,(H,14,15)
InChIKeyVZWARDLOQQWPGC-UHFFFAOYSA-N
XLogP1.56
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S,5S,8R,9S,10S,14R,15R,23R)-1,2,8,9,15,20,22,22-octamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid
CID 137661428
1-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 77230337
1-methyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 82409133
1-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 83414588
4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 83680740
2-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid
CID 83906436
(1R,2S,5S,10S,14R,15R,23R)-1,2,8,8,15,19,22,22-octamethyl-19,20-diazahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17,20-triene-5-carboxylic acid
CID 156019774
3-(1-methyl-4,5,6,7-tetrahydro-1H-indazol-6-yl)propanoic acid
CID 82395372
2-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetic acid
CID 82409068
1-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylicacid
CID 83414589
2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridin-3-yl}acetic acid
CID 83875355
2-methyl-4,5,6,7-tetrahydro-2H-indazole-7-carboxylic acid
CID 83875405

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)propanoic acid?
The IUPAC name of 2-(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)propanoic acid (CID 83909228) is 2-(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)propanoic acid.
What is the SMILES notation for 2-(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)propanoic acid?
The canonical SMILES for 2-(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)propanoic acid is CC(C(=O)O)C1CCCc2cnn(C)c21.
What is the InChIKey of 2-(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)propanoic acid?
The InChIKey is VZWARDLOQQWPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(11(14)15)9-5-3-4-8-6-12-13(2)10(8)9/h6-7,9H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)propanoic acid?
2-(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)propanoic acid is sourced from PubChem (CID 83909228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).