2-(3-propan-2-yl-2H-indazol-6-yl)propanoic acid

C13H16N2O2 — CID 105491045

IUPAC2-(3-propan-2-yl-2H-indazol-6-yl)propanoic acid
SMILESCC(C)c1[nH]nc2cc(C(C)C(=O)O)ccc12
InChIInChI=1S/C13H16N2O2/c1-7(2)12-10-5-4-9(8(3)13(16)17)6-11(10)14-15-12/h4-8H,1-3H3,(H,14,15)(H,16,17)
InChIKeyDQKAXUAHEGZYEA-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.87
Rot. Bonds3

About 2-(3-propan-2-yl-2H-indazol-6-yl)propanoic acid

2-(3-propan-2-yl-2H-indazol-6-yl)propanoic acid (PubChem CID 105491045) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(3-propan-2-yl-2H-indazol-6-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-propan-2-yl-2H-indazol-6-yl)propanoic acid
PubChem CID105491045
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(3-propan-2-yl-2H-indazol-6-yl)propanoic acid
SMILESCC(C)c1[nH]nc2cc(C(C)C(=O)O)ccc12
InChIInChI=1S/C13H16N2O2/c1-7(2)12-10-5-4-9(8(3)13(16)17)6-11(10)14-15-12/h4-8H,1-3H3,(H,14,15)(H,16,17)
InChIKeyDQKAXUAHEGZYEA-UHFFFAOYSA-N
XLogP2.87
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-propan-2-yl-2H-indazol-6-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-fluoro-2H-indazol-3-yl)propanoic acid
CID 83909181
1-(3-propan-2-yl-2H-indazol-6-yl)ethanone
CID 105454475
3,5-di(propan-2-yl)-2H-indazole
CID 58499067
6-chloro-3-propan-2-yl-2H-indazole
CID 118042502
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
ethane;3-propan-2-yl-2H-indazole
CID 167622577
3-(3-propan-2-yl-2H-indazol-5-yl)propanoic acid
CID 105491035
2-(3-phenyl-2,1-benzoxazol-6-yl)propanoic acid
CID 14835394
5-butan-2-yl-3-propan-2-yl-2H-indazole
CID 166843518
2-(3-bromo-1-methylindazol-6-yl)propanoic acid
CID 84730683
2-(3,4-dihydroxyphenyl)propanoic acid
CID 20848968
6-methoxy-3-(3-methyl-2H-indazol-6-yl)-2-propan-2-ylhexanoic acid
CID 68974753

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yl-2H-indazol-6-yl)propanoic acid?
The IUPAC name of 2-(3-propan-2-yl-2H-indazol-6-yl)propanoic acid (CID 105491045) is 2-(3-propan-2-yl-2H-indazol-6-yl)propanoic acid.
What is the SMILES notation for 2-(3-propan-2-yl-2H-indazol-6-yl)propanoic acid?
The canonical SMILES for 2-(3-propan-2-yl-2H-indazol-6-yl)propanoic acid is CC(C)c1[nH]nc2cc(C(C)C(=O)O)ccc12.
What is the InChIKey of 2-(3-propan-2-yl-2H-indazol-6-yl)propanoic acid?
The InChIKey is DQKAXUAHEGZYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-7(2)12-10-5-4-9(8(3)13(16)17)6-11(10)14-15-12/h4-8H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-(3-propan-2-yl-2H-indazol-6-yl)propanoic acid?
2-(3-propan-2-yl-2H-indazol-6-yl)propanoic acid has a molecular weight of 232.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yl-2H-indazol-6-yl)propanoic acid is sourced from PubChem (CID 105491045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).