2-[1-(oxetan-3-yl)pyrazol-4-yl]propanoic acid

C9H12N2O3 — CID 105449709

IUPAC2-[1-(oxetan-3-yl)pyrazol-4-yl]propanoic acid
SMILESCC(C(=O)O)c1cnn(C2COC2)c1
InChIInChI=1S/C9H12N2O3/c1-6(9(12)13)7-2-10-11(3-7)8-4-14-5-8/h2-3,6,8H,4-5H2,1H3,(H,12,13)
InChIKeyRPPUGLNLULPTPL-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.64
Rot. Bonds3

About 2-[1-(oxetan-3-yl)pyrazol-4-yl]propanoic acid

2-[1-(oxetan-3-yl)pyrazol-4-yl]propanoic acid (PubChem CID 105449709) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-[1-(oxetan-3-yl)pyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(oxetan-3-yl)pyrazol-4-yl]propanoic acid
PubChem CID105449709
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-[1-(oxetan-3-yl)pyrazol-4-yl]propanoic acid
SMILESCC(C(=O)O)c1cnn(C2COC2)c1
InChIInChI=1S/C9H12N2O3/c1-6(9(12)13)7-2-10-11(3-7)8-4-14-5-8/h2-3,6,8H,4-5H2,1H3,(H,12,13)
InChIKeyRPPUGLNLULPTPL-UHFFFAOYSA-N
XLogP0.64
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxetan-3-yl)pyrazol-4-yl]propanoic acid?
The IUPAC name of 2-[1-(oxetan-3-yl)pyrazol-4-yl]propanoic acid (CID 105449709) is 2-[1-(oxetan-3-yl)pyrazol-4-yl]propanoic acid.
What is the SMILES notation for 2-[1-(oxetan-3-yl)pyrazol-4-yl]propanoic acid?
The canonical SMILES for 2-[1-(oxetan-3-yl)pyrazol-4-yl]propanoic acid is CC(C(=O)O)c1cnn(C2COC2)c1.
What is the InChIKey of 2-[1-(oxetan-3-yl)pyrazol-4-yl]propanoic acid?
The InChIKey is RPPUGLNLULPTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6(9(12)13)7-2-10-11(3-7)8-4-14-5-8/h2-3,6,8H,4-5H2,1H3,(H,12,13).
What are the key properties of 2-[1-(oxetan-3-yl)pyrazol-4-yl]propanoic acid?
2-[1-(oxetan-3-yl)pyrazol-4-yl]propanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxetan-3-yl)pyrazol-4-yl]propanoic acid is sourced from PubChem (CID 105449709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).