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

C7H7N3O5 — CID 1202229

IUPAC2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid
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)
InChIKeyKXUHDDGHQOKAAP-UHFFFAOYSA-N
MW213.15 g/mol
LogP-2.12
Rot. Bonds3

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

2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid (PubChem CID 1202229) has the molecular formula C7H7N3O5 and a molecular weight of 213.15 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid
PubChem CID1202229
Molecular FormulaC7H7N3O5
Molecular Weight213.15 g/mol
Exact Mass213.04
IUPAC Name2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid
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)
InChIKeyKXUHDDGHQOKAAP-UHFFFAOYSA-N
XLogP-2.12
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 5-2.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid (CID 1202229) is 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid 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]acetic acid?
The InChIKey is KXUHDDGHQOKAAP-UHFFFAOYSA-N. 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).
What are the key properties of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid?
2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid has a molecular weight of 213.15 g/mol, XLogP of -2.12, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid is sourced from PubChem (CID 1202229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).