2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-4-methoxybutanoic acid

C9H13N3O7S — CID 62478269

IUPAC2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-4-methoxybutanoic acid
SMILESCOCCC(NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C9H13N3O7S/c1-19-3-2-5(8(14)15)12-20(17,18)6-4-10-9(16)11-7(6)13/h4-5,12H,2-3H2,1H3,(H,14,15)(H2,10,11,13,16)
InChIKeyFENKAFOWTQWJRX-UHFFFAOYSA-N
MW307.28 g/mol
LogP-2.17
Rot. Bonds7

About 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-4-methoxybutanoic acid

2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-4-methoxybutanoic acid (PubChem CID 62478269) has the molecular formula C9H13N3O7S and a molecular weight of 307.28 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-4-methoxybutanoic acid
PubChem CID62478269
Molecular FormulaC9H13N3O7S
Molecular Weight307.28 g/mol
Exact Mass307.05
IUPAC Name2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-4-methoxybutanoic acid
SMILESCOCCC(NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C9H13N3O7S/c1-19-3-2-5(8(14)15)12-20(17,18)6-4-10-9(16)11-7(6)13/h4-5,12H,2-3H2,1H3,(H,14,15)(H2,10,11,13,16)
InChIKeyFENKAFOWTQWJRX-UHFFFAOYSA-N
XLogP-2.17
TPSA158.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 5-2.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-4-methoxybutanoic 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-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-4-methoxybutanoic acid (CID 62478269) is 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-4-methoxybutanoic acid is COCCC(NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-4-methoxybutanoic acid?
The InChIKey is FENKAFOWTQWJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O7S/c1-19-3-2-5(8(14)15)12-20(17,18)6-4-10-9(16)11-7(6)13/h4-5,12H,2-3H2,1H3,(H,14,15)(H2,10,11,13,16).
What are the key properties of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-4-methoxybutanoic acid?
2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-4-methoxybutanoic acid has a molecular weight of 307.28 g/mol, XLogP of -2.17, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-4-methoxybutanoic acid is sourced from PubChem (CID 62478269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).