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

C10H14N2O3 — CID 154814245

IUPAC3-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)propanoic acid
SMILESO=C(O)CCn1[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C10H14N2O3/c13-9(14)5-6-12-8-4-2-1-3-7(8)10(15)11-12/h1-6H2,(H,11,15)(H,13,14)
InChIKeyPWMCEZRRAOMXAX-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.53
Rot. Bonds3

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

3-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)propanoic acid (PubChem CID 154814245) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)propanoic acid
PubChem CID154814245
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)propanoic acid
SMILESO=C(O)CCn1[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C10H14N2O3/c13-9(14)5-6-12-8-4-2-1-3-7(8)10(15)11-12/h1-6H2,(H,11,15)(H,13,14)
InChIKeyPWMCEZRRAOMXAX-UHFFFAOYSA-N
XLogP0.53
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)propanoic acid?
The IUPAC name of 3-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)propanoic acid (CID 154814245) is 3-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)propanoic acid?
The canonical SMILES for 3-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)propanoic acid is O=C(O)CCn1[nH]c(=O)c2c1CCCC2.
What is the InChIKey of 3-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)propanoic acid?
The InChIKey is PWMCEZRRAOMXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-9(14)5-6-12-8-4-2-1-3-7(8)10(15)11-12/h1-6H2,(H,11,15)(H,13,14).
What are the key properties of 3-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)propanoic acid?
3-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)propanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)propanoic acid is sourced from PubChem (CID 154814245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).