3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-propan-2-ylpyrazol-3-yl)propanoic acid

C15H19N3O4 — CID 71708508

IUPAC3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-propan-2-ylpyrazol-3-yl)propanoic acid
SMILESCc1cc(O)c(C(CC(=O)O)c2ccnn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C15H19N3O4/c1-8(2)18-11(4-5-16-18)10(7-13(20)21)14-12(19)6-9(3)17-15(14)22/h4-6,8,10H,7H2,1-3H3,(H,20,21)(H2,17,19,22)
InChIKeyMDOUIPMLZXCGKN-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.77
Rot. Bonds5

About 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-propan-2-ylpyrazol-3-yl)propanoic acid

3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-propan-2-ylpyrazol-3-yl)propanoic acid (PubChem CID 71708508) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-propan-2-ylpyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-propan-2-ylpyrazol-3-yl)propanoic acid
PubChem CID71708508
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-propan-2-ylpyrazol-3-yl)propanoic acid
SMILESCc1cc(O)c(C(CC(=O)O)c2ccnn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C15H19N3O4/c1-8(2)18-11(4-5-16-18)10(7-13(20)21)14-12(19)6-9(3)17-15(14)22/h4-6,8,10H,7H2,1-3H3,(H,20,21)(H2,17,19,22)
InChIKeyMDOUIPMLZXCGKN-UHFFFAOYSA-N
XLogP1.77
TPSA108.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-propan-2-ylpyrazol-3-yl)propanoic acid?
The IUPAC name of 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-propan-2-ylpyrazol-3-yl)propanoic acid (CID 71708508) is 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-propan-2-ylpyrazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-propan-2-ylpyrazol-3-yl)propanoic acid?
The canonical SMILES for 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-propan-2-ylpyrazol-3-yl)propanoic acid is Cc1cc(O)c(C(CC(=O)O)c2ccnn2C(C)C)c(=O)[nH]1.
What is the InChIKey of 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-propan-2-ylpyrazol-3-yl)propanoic acid?
The InChIKey is MDOUIPMLZXCGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-8(2)18-11(4-5-16-18)10(7-13(20)21)14-12(19)6-9(3)17-15(14)22/h4-6,8,10H,7H2,1-3H3,(H,20,21)(H2,17,19,22).
What are the key properties of 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-propan-2-ylpyrazol-3-yl)propanoic acid?
3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-propan-2-ylpyrazol-3-yl)propanoic acid has a molecular weight of 305.33 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-propan-2-ylpyrazol-3-yl)propanoic acid is sourced from PubChem (CID 71708508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).