2-(2-oxo-5,7-dihydro-1H-furo[3,4-d]pyrimidin-4-yl)acetic acid

C8H8N2O4 — CID 82399861

IUPAC2-(2-oxo-5,7-dihydro-1H-furo[3,4-d]pyrimidin-4-yl)acetic acid
SMILESO=C(O)Cc1nc(=O)[nH]c2c1COC2
InChIInChI=1S/C8H8N2O4/c11-7(12)1-5-4-2-14-3-6(4)10-8(13)9-5/h1-3H2,(H,11,12)(H,9,10,13)
InChIKeyYACZXBDRZZNJBB-UHFFFAOYSA-N
MW196.16 g/mol
LogP-0.57
Rot. Bonds2

About 2-(2-oxo-5,7-dihydro-1H-furo[3,4-d]pyrimidin-4-yl)acetic acid

2-(2-oxo-5,7-dihydro-1H-furo[3,4-d]pyrimidin-4-yl)acetic acid (PubChem CID 82399861) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 2-(2-oxo-5,7-dihydro-1H-furo[3,4-d]pyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-5,7-dihydro-1H-furo[3,4-d]pyrimidin-4-yl)acetic acid
PubChem CID82399861
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name2-(2-oxo-5,7-dihydro-1H-furo[3,4-d]pyrimidin-4-yl)acetic acid
SMILESO=C(O)Cc1nc(=O)[nH]c2c1COC2
InChIInChI=1S/C8H8N2O4/c11-7(12)1-5-4-2-14-3-6(4)10-8(13)9-5/h1-3H2,(H,11,12)(H,9,10,13)
InChIKeyYACZXBDRZZNJBB-UHFFFAOYSA-N
XLogP-0.57
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Oxo-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-yl)acetic acid
CID 83859007
2-(2-Oxo-1,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-yl)acetic acid
CID 83862602
2-(2-sulfanylidene-5,7-dihydro-1H-furo[3,4-d]pyrimidin-4-yl)acetic acid
CID 83871395
3-(4-methoxy-6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
CID 84678933

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-5,7-dihydro-1H-furo[3,4-d]pyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(2-oxo-5,7-dihydro-1H-furo[3,4-d]pyrimidin-4-yl)acetic acid (CID 82399861) is 2-(2-oxo-5,7-dihydro-1H-furo[3,4-d]pyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-5,7-dihydro-1H-furo[3,4-d]pyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-5,7-dihydro-1H-furo[3,4-d]pyrimidin-4-yl)acetic acid is O=C(O)Cc1nc(=O)[nH]c2c1COC2.
What is the InChIKey of 2-(2-oxo-5,7-dihydro-1H-furo[3,4-d]pyrimidin-4-yl)acetic acid?
The InChIKey is YACZXBDRZZNJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c11-7(12)1-5-4-2-14-3-6(4)10-8(13)9-5/h1-3H2,(H,11,12)(H,9,10,13).
What are the key properties of 2-(2-oxo-5,7-dihydro-1H-furo[3,4-d]pyrimidin-4-yl)acetic acid?
2-(2-oxo-5,7-dihydro-1H-furo[3,4-d]pyrimidin-4-yl)acetic acid has a molecular weight of 196.16 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-5,7-dihydro-1H-furo[3,4-d]pyrimidin-4-yl)acetic acid is sourced from PubChem (CID 82399861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).