2-(5-methoxycarbonyl-2-oxopyrimidin-1-yl)acetic acid

C8H8N2O5 — CID 83835191

IUPAC2-(5-methoxycarbonyl-2-oxopyrimidin-1-yl)acetic acid
SMILESCOC(=O)c1cnc(=O)n(CC(=O)O)c1
InChIInChI=1S/C8H8N2O5/c1-15-7(13)5-2-9-8(14)10(3-5)4-6(11)12/h2-3H,4H2,1H3,(H,11,12)
InChIKeyYQXWOSBKUFTOOW-UHFFFAOYSA-N
MW212.16 g/mol
LogP-0.89
Rot. Bonds3

About 2-(5-methoxycarbonyl-2-oxopyrimidin-1-yl)acetic acid

2-(5-methoxycarbonyl-2-oxopyrimidin-1-yl)acetic acid (PubChem CID 83835191) has the molecular formula C8H8N2O5 and a molecular weight of 212.16 g/mol. Its IUPAC name is 2-(5-methoxycarbonyl-2-oxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methoxycarbonyl-2-oxopyrimidin-1-yl)acetic acid
PubChem CID83835191
Molecular FormulaC8H8N2O5
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name2-(5-methoxycarbonyl-2-oxopyrimidin-1-yl)acetic acid
SMILESCOC(=O)c1cnc(=O)n(CC(=O)O)c1
InChIInChI=1S/C8H8N2O5/c1-15-7(13)5-2-9-8(14)10(3-5)4-6(11)12/h2-3H,4H2,1H3,(H,11,12)
InChIKeyYQXWOSBKUFTOOW-UHFFFAOYSA-N
XLogP-0.89
TPSA98.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxycarbonyl-2-oxopyrimidin-1-yl)acetic acid?
The IUPAC name of 2-(5-methoxycarbonyl-2-oxopyrimidin-1-yl)acetic acid (CID 83835191) is 2-(5-methoxycarbonyl-2-oxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-(5-methoxycarbonyl-2-oxopyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-(5-methoxycarbonyl-2-oxopyrimidin-1-yl)acetic acid is COC(=O)c1cnc(=O)n(CC(=O)O)c1.
What is the InChIKey of 2-(5-methoxycarbonyl-2-oxopyrimidin-1-yl)acetic acid?
The InChIKey is YQXWOSBKUFTOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O5/c1-15-7(13)5-2-9-8(14)10(3-5)4-6(11)12/h2-3H,4H2,1H3,(H,11,12).
What are the key properties of 2-(5-methoxycarbonyl-2-oxopyrimidin-1-yl)acetic acid?
2-(5-methoxycarbonyl-2-oxopyrimidin-1-yl)acetic acid has a molecular weight of 212.16 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxycarbonyl-2-oxopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 83835191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).