2-hydroxy-2-(1-methylpyrazol-4-yl)propanoic acid

C7H10N2O3 — CID 82412575

IUPAC2-hydroxy-2-(1-methylpyrazol-4-yl)propanoic acid
SMILESCn1cc(C(C)(O)C(=O)O)cn1
InChIInChI=1S/C7H10N2O3/c1-7(12,6(10)11)5-3-8-9(2)4-5/h3-4,12H,1-2H3,(H,10,11)
InChIKeyUPBNEPNPXMXBSO-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.29
Rot. Bonds2

About 2-hydroxy-2-(1-methylpyrazol-4-yl)propanoic acid

2-hydroxy-2-(1-methylpyrazol-4-yl)propanoic acid (PubChem CID 82412575) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-hydroxy-2-(1-methylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-(1-methylpyrazol-4-yl)propanoic acid
PubChem CID82412575
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-hydroxy-2-(1-methylpyrazol-4-yl)propanoic acid
SMILESCn1cc(C(C)(O)C(=O)O)cn1
InChIInChI=1S/C7H10N2O3/c1-7(12,6(10)11)5-3-8-9(2)4-5/h3-4,12H,1-2H3,(H,10,11)
InChIKeyUPBNEPNPXMXBSO-UHFFFAOYSA-N
XLogP-0.29
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(1-methylpyrazol-4-yl)propanoic acid?
The IUPAC name of 2-hydroxy-2-(1-methylpyrazol-4-yl)propanoic acid (CID 82412575) is 2-hydroxy-2-(1-methylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-(1-methylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 2-hydroxy-2-(1-methylpyrazol-4-yl)propanoic acid is Cn1cc(C(C)(O)C(=O)O)cn1.
What is the InChIKey of 2-hydroxy-2-(1-methylpyrazol-4-yl)propanoic acid?
The InChIKey is UPBNEPNPXMXBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-7(12,6(10)11)5-3-8-9(2)4-5/h3-4,12H,1-2H3,(H,10,11).
What are the key properties of 2-hydroxy-2-(1-methylpyrazol-4-yl)propanoic acid?
2-hydroxy-2-(1-methylpyrazol-4-yl)propanoic acid has a molecular weight of 170.17 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(1-methylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 82412575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).