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

C10H15ClN2O2 — CID 46736427

IUPAC3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCc1n[nH]c2c1CCCC2
InChIInChI=1S/C10H14N2O2.ClH/c13-10(14)6-5-9-7-3-1-2-4-8(7)11-12-9;/h1-6H2,(H,11,12)(H,13,14);1H
InChIKeyHTDUNWLWLYAYIR-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.73
Rot. Bonds3

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

3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid;hydrochloride (PubChem CID 46736427) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid;hydrochloride
PubChem CID46736427
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCc1n[nH]c2c1CCCC2
InChIInChI=1S/C10H14N2O2.ClH/c13-10(14)6-5-9-7-3-1-2-4-8(7)11-12-9;/h1-6H2,(H,11,12)(H,13,14);1H
InChIKeyHTDUNWLWLYAYIR-UHFFFAOYSA-N
XLogP1.73
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid;hydrochloride?
The IUPAC name of 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid;hydrochloride (CID 46736427) is 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid;hydrochloride is Cl.O=C(O)CCc1n[nH]c2c1CCCC2.
What is the InChIKey of 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid;hydrochloride?
The InChIKey is HTDUNWLWLYAYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.ClH/c13-10(14)6-5-9-7-3-1-2-4-8(7)11-12-9;/h1-6H2,(H,11,12)(H,13,14);1H.
What are the key properties of 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid;hydrochloride?
3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid;hydrochloride has a molecular weight of 230.69 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 46736427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).