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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)formamido]propanoic acid
CID 1272738
2-(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)acetic acid
CID 2512745
2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)acetic acid
CID 16037827
1-Methylorotic acid
CID 150845
Orotyl-glycyl-glycine
CID 12921164
2-[(2,6-Dioxo-1,3-dihydropyrimidin-4-yl)carbonylamino]acetic acid
CID 1202228
(4-Methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-YL)-acetic acid
CID 13926003
Magnesium orotate glycinate
CID 129703901
magnesium;2-aminoacetate;2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 186134
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

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).