(2S)-2-(1H-indazol-4-yloxy)propanoic acid

C10H10N2O3 — CID 137347017

IUPAC(2S)-2-(1H-indazol-4-yloxy)propanoic acid
SMILESC[C@H](Oc1cccc2[nH]ncc12)C(=O)O
InChIInChI=1S/C10H10N2O3/c1-6(10(13)14)15-9-4-2-3-8-7(9)5-11-12-8/h2-6H,1H3,(H,11,12)(H,13,14)/t6-/m0/s1
InChIKeyHXQCHHAIYXNJBF-LURJTMIESA-N
MW206.20 g/mol
LogP1.41
Rot. Bonds3

About (2S)-2-(1H-indazol-4-yloxy)propanoic acid

(2S)-2-(1H-indazol-4-yloxy)propanoic acid (PubChem CID 137347017) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is (2S)-2-(1H-indazol-4-yloxy)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(1H-indazol-4-yloxy)propanoic acid
PubChem CID137347017
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name(2S)-2-(1H-indazol-4-yloxy)propanoic acid
SMILESC[C@H](Oc1cccc2[nH]ncc12)C(=O)O
InChIInChI=1S/C10H10N2O3/c1-6(10(13)14)15-9-4-2-3-8-7(9)5-11-12-8/h2-6H,1H3,(H,11,12)(H,13,14)/t6-/m0/s1
InChIKeyHXQCHHAIYXNJBF-LURJTMIESA-N
XLogP1.41
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-indazol-4-yloxy)propanoic acid?
The IUPAC name of (2S)-2-(1H-indazol-4-yloxy)propanoic acid (CID 137347017) is (2S)-2-(1H-indazol-4-yloxy)propanoic acid.
What is the SMILES notation for (2S)-2-(1H-indazol-4-yloxy)propanoic acid?
The canonical SMILES for (2S)-2-(1H-indazol-4-yloxy)propanoic acid is C[C@H](Oc1cccc2[nH]ncc12)C(=O)O.
What is the InChIKey of (2S)-2-(1H-indazol-4-yloxy)propanoic acid?
The InChIKey is HXQCHHAIYXNJBF-LURJTMIESA-N. The full InChI is InChI=1S/C10H10N2O3/c1-6(10(13)14)15-9-4-2-3-8-7(9)5-11-12-8/h2-6H,1H3,(H,11,12)(H,13,14)/t6-/m0/s1.
What are the key properties of (2S)-2-(1H-indazol-4-yloxy)propanoic acid?
(2S)-2-(1H-indazol-4-yloxy)propanoic acid has a molecular weight of 206.20 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-indazol-4-yloxy)propanoic acid is sourced from PubChem (CID 137347017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).