2-[(2-hydroxy-6-oxo-2,3-dihydro-1H-pyrimidine-4-carbonyl)amino]acetic acid

C7H9N3O5 — CID 154979738

IUPAC2-[(2-hydroxy-6-oxo-2,3-dihydro-1H-pyrimidine-4-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C1=CC(=O)NC(O)N1
InChIInChI=1S/C7H9N3O5/c11-4-1-3(9-7(15)10-4)6(14)8-2-5(12)13/h1,7,9,15H,2H2,(H,8,14)(H,10,11)(H,12,13)
InChIKeyWSNJHZAHESSYGO-UHFFFAOYSA-N
MW215.16 g/mol
LogP-2.93
Rot. Bonds3

About 2-[(2-hydroxy-6-oxo-2,3-dihydro-1H-pyrimidine-4-carbonyl)amino]acetic acid

2-[(2-hydroxy-6-oxo-2,3-dihydro-1H-pyrimidine-4-carbonyl)amino]acetic acid (PubChem CID 154979738) has the molecular formula C7H9N3O5 and a molecular weight of 215.16 g/mol. Its IUPAC name is 2-[(2-hydroxy-6-oxo-2,3-dihydro-1H-pyrimidine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-6-oxo-2,3-dihydro-1H-pyrimidine-4-carbonyl)amino]acetic acid
PubChem CID154979738
Molecular FormulaC7H9N3O5
Molecular Weight215.16 g/mol
Exact Mass215.05
IUPAC Name2-[(2-hydroxy-6-oxo-2,3-dihydro-1H-pyrimidine-4-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C1=CC(=O)NC(O)N1
InChIInChI=1S/C7H9N3O5/c11-4-1-3(9-7(15)10-4)6(14)8-2-5(12)13/h1,7,9,15H,2H2,(H,8,14)(H,10,11)(H,12,13)
InChIKeyWSNJHZAHESSYGO-UHFFFAOYSA-N
XLogP-2.93
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 5-2.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]glycine
CID 1202229
Orotyl-glycyl-glycine
CID 12921164
2-[(2,6-Dioxo-1,3-dihydropyrimidin-4-yl)carbonylamino]acetic acid
CID 1202228
2,6-Dihydroxy-N,N-bis(2-hydroxyethyl)pyrimidine-4-carboxamide
CID 241842
Orotylglycine ethyl ester
CID 60810834
2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257885
2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]acetic acid
CID 313547
2-[carboxymethyl-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]amino]acetic acid
CID 325906
2-(6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)acetic acid
CID 3117136
lithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid
CID 126476298
lithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate
CID 155823021
2-((2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)amino)acetic acid
CID 1770736

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-6-oxo-2,3-dihydro-1H-pyrimidine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-hydroxy-6-oxo-2,3-dihydro-1H-pyrimidine-4-carbonyl)amino]acetic acid (CID 154979738) is 2-[(2-hydroxy-6-oxo-2,3-dihydro-1H-pyrimidine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxy-6-oxo-2,3-dihydro-1H-pyrimidine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-hydroxy-6-oxo-2,3-dihydro-1H-pyrimidine-4-carbonyl)amino]acetic acid is O=C(O)CNC(=O)C1=CC(=O)NC(O)N1.
What is the InChIKey of 2-[(2-hydroxy-6-oxo-2,3-dihydro-1H-pyrimidine-4-carbonyl)amino]acetic acid?
The InChIKey is WSNJHZAHESSYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O5/c11-4-1-3(9-7(15)10-4)6(14)8-2-5(12)13/h1,7,9,15H,2H2,(H,8,14)(H,10,11)(H,12,13).
What are the key properties of 2-[(2-hydroxy-6-oxo-2,3-dihydro-1H-pyrimidine-4-carbonyl)amino]acetic acid?
2-[(2-hydroxy-6-oxo-2,3-dihydro-1H-pyrimidine-4-carbonyl)amino]acetic acid has a molecular weight of 215.16 g/mol, XLogP of -2.93, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-6-oxo-2,3-dihydro-1H-pyrimidine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 154979738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).