2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxypropanoic acid

C8H9N3O6 — CID 24689876

IUPAC2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxypropanoic acid
SMILESO=C(NC(CO)C(=O)O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H9N3O6/c12-2-4(7(15)16)9-6(14)3-1-5(13)11-8(17)10-3/h1,4,12H,2H2,(H,9,14)(H,15,16)(H2,10,11,13,17)
InChIKeyKRPUQKWMBOVEKR-UHFFFAOYSA-N
MW243.17 g/mol
LogP-2.76
Rot. Bonds4

About 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxypropanoic acid

2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxypropanoic acid (PubChem CID 24689876) has the molecular formula C8H9N3O6 and a molecular weight of 243.17 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxypropanoic acid
PubChem CID24689876
Molecular FormulaC8H9N3O6
Molecular Weight243.17 g/mol
Exact Mass243.05
IUPAC Name2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxypropanoic acid
SMILESO=C(NC(CO)C(=O)O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H9N3O6/c12-2-4(7(15)16)9-6(14)3-1-5(13)11-8(17)10-3/h1,4,12H,2H2,(H,9,14)(H,15,16)(H2,10,11,13,17)
InChIKeyKRPUQKWMBOVEKR-UHFFFAOYSA-N
XLogP-2.76
TPSA152.35 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.17
LogP ≤ 5-2.76
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
2,6-Dihydroxy-N,N-bis(2-hydroxyethyl)pyrimidine-4-carboxamide
CID 241842
Alanine, N-orotoyl-
CID 24691931
(2S)-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 25098647
2-(2,4-Dioxopyrimidin-1-yl)-3-hydroxypropanoic acid
CID 56979178
2-[(2-hydroxy-6-oxo-2,3-dihydro-1H-pyrimidine-4-carbonyl)amino]acetic acid
CID 154979738
2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxybutanoic acid
CID 24696674
(2R)-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxypropanoic acid
CID 28170063
(2S)-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxypropanoic acid
CID 28170065
(2R)-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid
CID 28175217
(2S)-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid
CID 28175219

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxypropanoic acid (CID 24689876) is 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxypropanoic acid is O=C(NC(CO)C(=O)O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxypropanoic acid?
The InChIKey is KRPUQKWMBOVEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O6/c12-2-4(7(15)16)9-6(14)3-1-5(13)11-8(17)10-3/h1,4,12H,2H2,(H,9,14)(H,15,16)(H2,10,11,13,17).
What are the key properties of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxypropanoic acid?
2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxypropanoic acid has a molecular weight of 243.17 g/mol, XLogP of -2.76, 4 rotatable bonds, 5 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]-3-hydroxypropanoic acid is sourced from PubChem (CID 24689876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).