2-(2,4-dioxopyrimidin-1-yl)-3-hydroxypropanoic acid

C7H8N2O5 — CID 56979178

IUPAC2-(2,4-dioxopyrimidin-1-yl)-3-hydroxypropanoic acid
SMILESO=C(O)C(CO)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O5/c10-3-4(6(12)13)9-2-1-5(11)8-7(9)14/h1-2,4,10H,3H2,(H,12,13)(H,8,11,14)
InChIKeyZYYUUDOITSMAMC-UHFFFAOYSA-N
MW200.15 g/mol
LogP-1.85
Rot. Bonds3

About 2-(2,4-dioxopyrimidin-1-yl)-3-hydroxypropanoic acid

2-(2,4-dioxopyrimidin-1-yl)-3-hydroxypropanoic acid (PubChem CID 56979178) has the molecular formula C7H8N2O5 and a molecular weight of 200.15 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-3-hydroxypropanoic acid
PubChem CID56979178
Molecular FormulaC7H8N2O5
Molecular Weight200.15 g/mol
Exact Mass200.04
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-3-hydroxypropanoic acid
SMILESO=C(O)C(CO)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O5/c10-3-4(6(12)13)9-2-1-5(11)8-7(9)14/h1-2,4,10H,3H2,(H,12,13)(H,8,11,14)
InChIKeyZYYUUDOITSMAMC-UHFFFAOYSA-N
XLogP-1.85
TPSA112.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-1.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-dioxopyrimidin-1-yl)-3-hydroxypropanoic 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

Pyrimidine-2,4(1H,3H)-dione, 1-[1-(hydroxymethyl)-2-hydroxyethyl]-
CID 574509
Diethyl 2-(2,4-dioxo-1,3-dihydropyrimidinyl)propane-1,3-dioate
CID 3111177
N-(1,3-dihydroxypropan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 65315164
2-Amino-2-(2,4-dioxopyrimidin-1-yl)propanoic acid
CID 66876944
(2S)-2-(2,4-dioxopyrimidin-1-yl)propanoic acid
CID 129371690
2-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid
CID 174487135
(2S)-2-[5-(2,4-dioxopyrimidin-1-yl)pentylamino]-3-hydroxypropanoic acid
CID 24178761
2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxypropanoic acid
CID 24689876
(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
3-Hydroxy-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43171664
2-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43171667

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-3-hydroxypropanoic acid?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-3-hydroxypropanoic acid (CID 56979178) is 2-(2,4-dioxopyrimidin-1-yl)-3-hydroxypropanoic acid.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-3-hydroxypropanoic acid?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-3-hydroxypropanoic acid is O=C(O)C(CO)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-3-hydroxypropanoic acid?
The InChIKey is ZYYUUDOITSMAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O5/c10-3-4(6(12)13)9-2-1-5(11)8-7(9)14/h1-2,4,10H,3H2,(H,12,13)(H,8,11,14).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-3-hydroxypropanoic acid?
2-(2,4-dioxopyrimidin-1-yl)-3-hydroxypropanoic acid has a molecular weight of 200.15 g/mol, XLogP of -1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-3-hydroxypropanoic acid is sourced from PubChem (CID 56979178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).