2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid

C10H13N3O6 — CID 61244214

IUPAC2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC(CCO)C(=O)O
InChIInChI=1S/C10H13N3O6/c14-4-2-6(9(17)18)11-8(16)5-13-3-1-7(15)12-10(13)19/h1,3,6,14H,2,4-5H2,(H,11,16)(H,17,18)(H,12,15,19)
InChIKeyYHFGJJLZQNLLJH-UHFFFAOYSA-N
MW271.23 g/mol
LogP-2.51
Rot. Bonds6

About 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid

2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid (PubChem CID 61244214) has the molecular formula C10H13N3O6 and a molecular weight of 271.23 g/mol. Its IUPAC name is 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid
PubChem CID61244214
Molecular FormulaC10H13N3O6
Molecular Weight271.23 g/mol
Exact Mass271.08
IUPAC Name2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC(CCO)C(=O)O
InChIInChI=1S/C10H13N3O6/c14-4-2-6(9(17)18)11-8(16)5-13-3-1-7(15)12-10(13)19/h1,3,6,14H,2,4-5H2,(H,11,16)(H,17,18)(H,12,15,19)
InChIKeyYHFGJJLZQNLLJH-UHFFFAOYSA-N
XLogP-2.51
TPSA141.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 5-2.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid (CID 61244214) is 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid is O=C(Cn1ccc(=O)[nH]c1=O)NC(CCO)C(=O)O.
What is the InChIKey of 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid?
The InChIKey is YHFGJJLZQNLLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6/c14-4-2-6(9(17)18)11-8(16)5-13-3-1-7(15)12-10(13)19/h1,3,6,14H,2,4-5H2,(H,11,16)(H,17,18)(H,12,15,19).
What are the key properties of 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid?
2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid has a molecular weight of 271.23 g/mol, XLogP of -2.51, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61244214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).