2-[(2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]acetic acid

C11H9N3O5 — CID 135956939

IUPAC2-[(2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C11H9N3O5/c15-7(16)5-12-9(17)8-10(18)13-6-3-1-2-4-14(6)11(8)19/h1-4,18H,5H2,(H,12,17)(H,15,16)
InChIKeyQAALNDRTILYXFZ-UHFFFAOYSA-N
MW263.21 g/mol
LogP-0.79
Rot. Bonds3

About 2-[(2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]acetic acid

2-[(2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]acetic acid (PubChem CID 135956939) has the molecular formula C11H9N3O5 and a molecular weight of 263.21 g/mol. Its IUPAC name is 2-[(2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]acetic acid
PubChem CID135956939
Molecular FormulaC11H9N3O5
Molecular Weight263.21 g/mol
Exact Mass263.05
IUPAC Name2-[(2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C11H9N3O5/c15-7(16)5-12-9(17)8-10(18)13-6-3-1-2-4-14(6)11(8)19/h1-4,18H,5H2,(H,12,17)(H,15,16)
InChIKeyQAALNDRTILYXFZ-UHFFFAOYSA-N
XLogP-0.79
TPSA121.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]acetic acid (CID 135956939) is 2-[(2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1c(O)nc2ccccn2c1=O.
What is the InChIKey of 2-[(2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]acetic acid?
The InChIKey is QAALNDRTILYXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O5/c15-7(16)5-12-9(17)8-10(18)13-6-3-1-2-4-14(6)11(8)19/h1-4,18H,5H2,(H,12,17)(H,15,16).
What are the key properties of 2-[(2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]acetic acid?
2-[(2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]acetic acid has a molecular weight of 263.21 g/mol, XLogP of -0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 135956939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).