2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate

C7H6N3O5- — CID 1202228

IUPAC2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate
SMILESO=C([O-])CNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C7H7N3O5/c11-4-1-3(9-7(15)10-4)6(14)8-2-5(12)13/h1H,2H2,(H,8,14)(H,12,13)(H2,9,10,11,15)/p-1
InChIKeyKXUHDDGHQOKAAP-UHFFFAOYSA-M
MW212.14 g/mol
LogP-3.46
Rot. Bonds3

About 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate

2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate (PubChem CID 1202228) has the molecular formula C7H6N3O5- and a molecular weight of 212.14 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate.

Molecular Properties

Compound Name2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate
PubChem CID1202228
Molecular FormulaC7H6N3O5-
Molecular Weight212.14 g/mol
Exact Mass212.03
IUPAC Name2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate
SMILESO=C([O-])CNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C7H7N3O5/c11-4-1-3(9-7(15)10-4)6(14)8-2-5(12)13/h1H,2H2,(H,8,14)(H,12,13)(H2,9,10,11,15)/p-1
InChIKeyKXUHDDGHQOKAAP-UHFFFAOYSA-M
XLogP-3.46
TPSA134.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 5-3.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate?
The IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate (CID 1202228) is 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate.
What is the SMILES notation for 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate?
The canonical SMILES for 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate is O=C([O-])CNC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate?
The InChIKey is KXUHDDGHQOKAAP-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7N3O5/c11-4-1-3(9-7(15)10-4)6(14)8-2-5(12)13/h1H,2H2,(H,8,14)(H,12,13)(H2,9,10,11,15)/p-1.
What are the key properties of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate?
2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate has a molecular weight of 212.14 g/mol, XLogP of -3.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate is sourced from PubChem (CID 1202228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).