2-methyl-2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanoic acid

C11H14N2O4 — CID 136917926

IUPAC2-methyl-2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanoic acid
SMILESCC(C)(C(=O)O)c1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C11H14N2O4/c1-11(2,10(15)16)9-12-7-3-4-17-5-6(7)8(14)13-9/h3-5H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyJCTXXULUVXRQSV-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.20
Rot. Bonds2

About 2-methyl-2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanoic acid

2-methyl-2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanoic acid (PubChem CID 136917926) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-methyl-2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanoic acid
PubChem CID136917926
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-methyl-2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanoic acid
SMILESCC(C)(C(=O)O)c1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C11H14N2O4/c1-11(2,10(15)16)9-12-7-3-4-17-5-6(7)8(14)13-9/h3-5H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyJCTXXULUVXRQSV-UHFFFAOYSA-N
XLogP0.20
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanoic acid with MolForge

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Related Compounds

2-Methyl-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 135741851
2-Tert-butyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136612915
2-Ethyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696292
4-Oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-2-carboxylic acid
CID 136693538
2-(2-Hydroxyethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136693544
2-Propyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696154
2-Propan-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696187
2-(4-Oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetamide
CID 136696262
Methyl 4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-2-carboxylate
CID 136696271
2-(1-Methylcyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696273
2-(2-Methoxyethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696298
2-(4-Oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanoic acid
CID 136699523

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanoic acid (CID 136917926) is 2-methyl-2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanoic acid is CC(C)(C(=O)O)c1nc2c(c(=O)[nH]1)COCC2.
What is the InChIKey of 2-methyl-2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanoic acid?
The InChIKey is JCTXXULUVXRQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-11(2,10(15)16)9-12-7-3-4-17-5-6(7)8(14)13-9/h3-5H2,1-2H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-methyl-2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanoic acid?
2-methyl-2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanoic acid has a molecular weight of 238.24 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 136917926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).