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

C11H16N2O3 — CID 105481832

IUPAC2-methyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]propanoic acid
SMILESCC(Cc1cnn(C2CCOC2)c1)C(=O)O
InChIInChI=1S/C11H16N2O3/c1-8(11(14)15)4-9-5-12-13(6-9)10-2-3-16-7-10/h5-6,8,10H,2-4,7H2,1H3,(H,14,15)
InChIKeyWEQUHTAGLJTCLX-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.11
Rot. Bonds4

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

2-methyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]propanoic acid (PubChem CID 105481832) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-methyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]propanoic acid
PubChem CID105481832
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-methyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]propanoic acid
SMILESCC(Cc1cnn(C2CCOC2)c1)C(=O)O
InChIInChI=1S/C11H16N2O3/c1-8(11(14)15)4-9-5-12-13(6-9)10-2-3-16-7-10/h5-6,8,10H,2-4,7H2,1H3,(H,14,15)
InChIKeyWEQUHTAGLJTCLX-UHFFFAOYSA-N
XLogP1.11
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]propanoic acid?
The IUPAC name of 2-methyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]propanoic acid (CID 105481832) is 2-methyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]propanoic acid?
The canonical SMILES for 2-methyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]propanoic acid is CC(Cc1cnn(C2CCOC2)c1)C(=O)O.
What is the InChIKey of 2-methyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]propanoic acid?
The InChIKey is WEQUHTAGLJTCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(11(14)15)4-9-5-12-13(6-9)10-2-3-16-7-10/h5-6,8,10H,2-4,7H2,1H3,(H,14,15).
What are the key properties of 2-methyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]propanoic acid?
2-methyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]propanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]propanoic acid is sourced from PubChem (CID 105481832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).