2-(5-methoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)acetic acid

C8H10N2O5 — CID 171384203

IUPAC2-(5-methoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)acetic acid
SMILESCOC(=O)C1=CNC(=O)NC1CC(=O)O
InChIInChI=1S/C8H10N2O5/c1-15-7(13)4-3-9-8(14)10-5(4)2-6(11)12/h3,5H,2H2,1H3,(H,11,12)(H2,9,10,14)
InChIKeyNYDGZHLEANZQMP-UHFFFAOYSA-N
MW214.18 g/mol
LogP-0.80
Rot. Bonds3

About 2-(5-methoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)acetic acid

2-(5-methoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)acetic acid (PubChem CID 171384203) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is 2-(5-methoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)acetic acid
PubChem CID171384203
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Name2-(5-methoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)acetic acid
SMILESCOC(=O)C1=CNC(=O)NC1CC(=O)O
InChIInChI=1S/C8H10N2O5/c1-15-7(13)4-3-9-8(14)10-5(4)2-6(11)12/h3,5H,2H2,1H3,(H,11,12)(H2,9,10,14)
InChIKeyNYDGZHLEANZQMP-UHFFFAOYSA-N
XLogP-0.80
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(5-methoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)acetic acid (CID 171384203) is 2-(5-methoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(5-methoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(5-methoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)acetic acid is COC(=O)C1=CNC(=O)NC1CC(=O)O.
What is the InChIKey of 2-(5-methoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)acetic acid?
The InChIKey is NYDGZHLEANZQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5/c1-15-7(13)4-3-9-8(14)10-5(4)2-6(11)12/h3,5H,2H2,1H3,(H,11,12)(H2,9,10,14).
What are the key properties of 2-(5-methoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)acetic acid?
2-(5-methoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)acetic acid has a molecular weight of 214.18 g/mol, XLogP of -0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)acetic acid is sourced from PubChem (CID 171384203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).