2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxybutanoic acid

C10H13N3O6 — CID 43353806

IUPAC2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C10H13N3O6/c1-4(14)8(9(17)18)12-6(15)2-5-3-7(16)13-10(19)11-5/h3-4,8,14H,2H2,1H3,(H,12,15)(H,17,18)(H2,11,13,16,19)
InChIKeyLTIHTNHWUSLWKS-UHFFFAOYSA-N
MW271.23 g/mol
LogP-2.44
Rot. Bonds5

About 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxybutanoic acid

2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxybutanoic acid (PubChem CID 43353806) has the molecular formula C10H13N3O6 and a molecular weight of 271.23 g/mol. Its IUPAC name is 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxybutanoic acid
PubChem CID43353806
Molecular FormulaC10H13N3O6
Molecular Weight271.23 g/mol
Exact Mass271.08
IUPAC Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C10H13N3O6/c1-4(14)8(9(17)18)12-6(15)2-5-3-7(16)13-10(19)11-5/h3-4,8,14H,2H2,1H3,(H,12,15)(H,17,18)(H2,11,13,16,19)
InChIKeyLTIHTNHWUSLWKS-UHFFFAOYSA-N
XLogP-2.44
TPSA152.35 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 5-2.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxybutanoic acid (CID 43353806) is 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxybutanoic acid is CC(O)C(NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O.
What is the InChIKey of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxybutanoic acid?
The InChIKey is LTIHTNHWUSLWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6/c1-4(14)8(9(17)18)12-6(15)2-5-3-7(16)13-10(19)11-5/h3-4,8,14H,2H2,1H3,(H,12,15)(H,17,18)(H2,11,13,16,19).
What are the key properties of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxybutanoic acid?
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxybutanoic acid has a molecular weight of 271.23 g/mol, XLogP of -2.44, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 43353806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).