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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Related Compounds

2-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]propanoic acid
CID 105480591
2-methyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]propanoic acid
CID 105481832
2-(1-cyclopropylpyrazol-4-yl)butanoic acid
CID 84773136
2-[1-(oxolan-3-yl)pyrazol-4-yl]propan-1-amine
CID 105449225
(1R)-1-(1-cyclopentylpyrazol-4-yl)ethanamine
CID 94575332
1-(1-cyclopentylpyrazol-4-yl)ethanamine
CID 62727296
1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanol
CID 79920064
4-(4-methylphenyl)-1-(oxetan-3-yl)pyrazole
CID 167820480
3-[1-(azetidin-3-yl)pyrazol-4-yl]-2-methylpropanoic acid
CID 105462907
2-methylsulfanyl-1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 156511021
N-ethyl-1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanamine
CID 79910321
N-methyl-1-[1-(thian-4-yl)pyrazol-4-yl]ethanamine
CID 105483316

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).