2-methyl-2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)propanoic acid

C10H12N2O4 — CID 136699525

IUPAC2-methyl-2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)propanoic acid
SMILESCC(C)(C(=O)O)c1nc2c(c(=O)[nH]1)COC2
InChIInChI=1S/C10H12N2O4/c1-10(2,9(14)15)8-11-6-4-16-3-5(6)7(13)12-8/h3-4H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyOFRZJIUPJQKTAT-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.16
Rot. Bonds2

About 2-methyl-2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)propanoic acid

2-methyl-2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)propanoic acid (PubChem CID 136699525) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-methyl-2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)propanoic acid
PubChem CID136699525
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-methyl-2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)propanoic acid
SMILESCC(C)(C(=O)O)c1nc2c(c(=O)[nH]1)COC2
InChIInChI=1S/C10H12N2O4/c1-10(2,9(14)15)8-11-6-4-16-3-5(6)7(13)12-8/h3-4H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyOFRZJIUPJQKTAT-UHFFFAOYSA-N
XLogP0.16
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

ethyl 2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate
CID 136160526
2-tert-butyl-5-(hydroxymethyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 136648847
2-tert-butyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
CID 137049007
2-propan-2-yl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
CID 137128195
4-methyl-6-oxo-2-(2-propoxyethyl)-1H-pyrimidine-5-carboxylic acid
CID 136024681
2-(2-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 136191393
2-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 136191395
2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)acetic acid
CID 136693540
2-methyl-3-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)propanoic acid
CID 136699526
4-methyl-6-oxo-2-(propoxymethyl)-1H-pyrimidine-5-carboxylic acid
CID 136716233
4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidine-2-carboxylic acid
CID 136743935
2-(2-hydroxyethyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
CID 136743938

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)propanoic acid (CID 136699525) is 2-methyl-2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)propanoic acid is CC(C)(C(=O)O)c1nc2c(c(=O)[nH]1)COC2.
What is the InChIKey of 2-methyl-2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)propanoic acid?
The InChIKey is OFRZJIUPJQKTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-10(2,9(14)15)8-11-6-4-16-3-5(6)7(13)12-8/h3-4H2,1-2H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-methyl-2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)propanoic acid?
2-methyl-2-(4-oxo-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)propanoic acid has a molecular weight of 224.22 g/mol, XLogP of 0.16, 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-5,7-dihydro-3H-furo[3,4-d]pyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 136699525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).