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

C8H11N3O6S — CID 61262292

IUPAC2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methylpropanoic acid
SMILESCC(C)(NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C8H11N3O6S/c1-8(2,6(13)14)11-18(16,17)4-3-9-7(15)10-5(4)12/h3,11H,1-2H3,(H,13,14)(H2,9,10,12,15)
InChIKeyNYMYBDDTAIYVOA-UHFFFAOYSA-N
MW277.26 g/mol
LogP-1.80
Rot. Bonds4

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

2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methylpropanoic acid (PubChem CID 61262292) has the molecular formula C8H11N3O6S and a molecular weight of 277.26 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methylpropanoic acid
PubChem CID61262292
Molecular FormulaC8H11N3O6S
Molecular Weight277.26 g/mol
Exact Mass277.04
IUPAC Name2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methylpropanoic acid
SMILESCC(C)(NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C8H11N3O6S/c1-8(2,6(13)14)11-18(16,17)4-3-9-7(15)10-5(4)12/h3,11H,1-2H3,(H,13,14)(H2,9,10,12,15)
InChIKeyNYMYBDDTAIYVOA-UHFFFAOYSA-N
XLogP-1.80
TPSA149.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 43258966
4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methylbutanoic acid
CID 80540480
3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methoxypropanoic acid
CID 114144355
3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 66167300
4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]butanoic acid
CID 43351308
1-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445419
2,4-dioxo-N-propyl-1H-pyrimidine-5-sulfonamide
CID 43258987
5-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43172845
2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-4-methoxybutanoic acid
CID 62478269
N-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7161234
N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 43508900
2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763494

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methylpropanoic acid (CID 61262292) is 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methylpropanoic acid is CC(C)(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]-2-methylpropanoic acid?
The InChIKey is NYMYBDDTAIYVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O6S/c1-8(2,6(13)14)11-18(16,17)4-3-9-7(15)10-5(4)12/h3,11H,1-2H3,(H,13,14)(H2,9,10,12,15).
What are the key properties of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methylpropanoic acid?
2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methylpropanoic acid has a molecular weight of 277.26 g/mol, XLogP of -1.80, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methylpropanoic acid is sourced from PubChem (CID 61262292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).