2-[(3-hydroxy-5-pyrimidin-5-ylpyridine-2-carbonyl)amino]acetic acid

C12H10N4O4 — CID 24891739

IUPAC2-[(3-hydroxy-5-pyrimidin-5-ylpyridine-2-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc(-c2cncnc2)cc1O
InChIInChI=1S/C12H10N4O4/c17-9-1-7(8-2-13-6-14-3-8)4-15-11(9)12(20)16-5-10(18)19/h1-4,6,17H,5H2,(H,16,20)(H,18,19)
InChIKeyXSMYFPOFUAGJQT-UHFFFAOYSA-N
MW274.24 g/mol
LogP0.06
Rot. Bonds4

About 2-[(3-hydroxy-5-pyrimidin-5-ylpyridine-2-carbonyl)amino]acetic acid

2-[(3-hydroxy-5-pyrimidin-5-ylpyridine-2-carbonyl)amino]acetic acid (PubChem CID 24891739) has the molecular formula C12H10N4O4 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-[(3-hydroxy-5-pyrimidin-5-ylpyridine-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-5-pyrimidin-5-ylpyridine-2-carbonyl)amino]acetic acid
PubChem CID24891739
Molecular FormulaC12H10N4O4
Molecular Weight274.24 g/mol
Exact Mass274.07
IUPAC Name2-[(3-hydroxy-5-pyrimidin-5-ylpyridine-2-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc(-c2cncnc2)cc1O
InChIInChI=1S/C12H10N4O4/c17-9-1-7(8-2-13-6-14-3-8)4-15-11(9)12(20)16-5-10(18)19/h1-4,6,17H,5H2,(H,16,20)(H,18,19)
InChIKeyXSMYFPOFUAGJQT-UHFFFAOYSA-N
XLogP0.06
TPSA125.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-5-pyrimidin-5-ylpyridine-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(3-hydroxy-5-pyrimidin-5-ylpyridine-2-carbonyl)amino]acetic acid (CID 24891739) is 2-[(3-hydroxy-5-pyrimidin-5-ylpyridine-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-hydroxy-5-pyrimidin-5-ylpyridine-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(3-hydroxy-5-pyrimidin-5-ylpyridine-2-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1ncc(-c2cncnc2)cc1O.
What is the InChIKey of 2-[(3-hydroxy-5-pyrimidin-5-ylpyridine-2-carbonyl)amino]acetic acid?
The InChIKey is XSMYFPOFUAGJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O4/c17-9-1-7(8-2-13-6-14-3-8)4-15-11(9)12(20)16-5-10(18)19/h1-4,6,17H,5H2,(H,16,20)(H,18,19).
What are the key properties of 2-[(3-hydroxy-5-pyrimidin-5-ylpyridine-2-carbonyl)amino]acetic acid?
2-[(3-hydroxy-5-pyrimidin-5-ylpyridine-2-carbonyl)amino]acetic acid has a molecular weight of 274.24 g/mol, XLogP of 0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-5-pyrimidin-5-ylpyridine-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 24891739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).