(2R,3S)-3-[(4-pyrazol-1-ylpyridine-2-carbonyl)amino]oxolane-2-carboxylic acid

C14H14N4O4 — CID 138032469

IUPAC(2R,3S)-3-[(4-pyrazol-1-ylpyridine-2-carbonyl)amino]oxolane-2-carboxylic acid
SMILESO=C(N[C@H]1CCO[C@H]1C(=O)O)c1cc(-n2cccn2)ccn1
InChIInChI=1S/C14H14N4O4/c19-13(17-10-3-7-22-12(10)14(20)21)11-8-9(2-5-15-11)18-6-1-4-16-18/h1-2,4-6,8,10,12H,3,7H2,(H,17,19)(H,20,21)/t10-,12+/m0/s1
InChIKeyVHMNSKOLLUPXLI-CMPLNLGQSA-N
MW302.29 g/mol
LogP0.24
Rot. Bonds4

About (2R,3S)-3-[(4-pyrazol-1-ylpyridine-2-carbonyl)amino]oxolane-2-carboxylic acid

(2R,3S)-3-[(4-pyrazol-1-ylpyridine-2-carbonyl)amino]oxolane-2-carboxylic acid (PubChem CID 138032469) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is (2R,3S)-3-[(4-pyrazol-1-ylpyridine-2-carbonyl)amino]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-3-[(4-pyrazol-1-ylpyridine-2-carbonyl)amino]oxolane-2-carboxylic acid
PubChem CID138032469
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Name(2R,3S)-3-[(4-pyrazol-1-ylpyridine-2-carbonyl)amino]oxolane-2-carboxylic acid
SMILESO=C(N[C@H]1CCO[C@H]1C(=O)O)c1cc(-n2cccn2)ccn1
InChIInChI=1S/C14H14N4O4/c19-13(17-10-3-7-22-12(10)14(20)21)11-8-9(2-5-15-11)18-6-1-4-16-18/h1-2,4-6,8,10,12H,3,7H2,(H,17,19)(H,20,21)/t10-,12+/m0/s1
InChIKeyVHMNSKOLLUPXLI-CMPLNLGQSA-N
XLogP0.24
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[(4-pyrazol-1-ylpyridine-2-carbonyl)amino]oxolane-2-carboxylic acid?
The IUPAC name of (2R,3S)-3-[(4-pyrazol-1-ylpyridine-2-carbonyl)amino]oxolane-2-carboxylic acid (CID 138032469) is (2R,3S)-3-[(4-pyrazol-1-ylpyridine-2-carbonyl)amino]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,3S)-3-[(4-pyrazol-1-ylpyridine-2-carbonyl)amino]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,3S)-3-[(4-pyrazol-1-ylpyridine-2-carbonyl)amino]oxolane-2-carboxylic acid is O=C(N[C@H]1CCO[C@H]1C(=O)O)c1cc(-n2cccn2)ccn1.
What is the InChIKey of (2R,3S)-3-[(4-pyrazol-1-ylpyridine-2-carbonyl)amino]oxolane-2-carboxylic acid?
The InChIKey is VHMNSKOLLUPXLI-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H14N4O4/c19-13(17-10-3-7-22-12(10)14(20)21)11-8-9(2-5-15-11)18-6-1-4-16-18/h1-2,4-6,8,10,12H,3,7H2,(H,17,19)(H,20,21)/t10-,12+/m0/s1.
What are the key properties of (2R,3S)-3-[(4-pyrazol-1-ylpyridine-2-carbonyl)amino]oxolane-2-carboxylic acid?
(2R,3S)-3-[(4-pyrazol-1-ylpyridine-2-carbonyl)amino]oxolane-2-carboxylic acid has a molecular weight of 302.29 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[(4-pyrazol-1-ylpyridine-2-carbonyl)amino]oxolane-2-carboxylic acid is sourced from PubChem (CID 138032469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).