3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methoxypropanoic acid

C8H11N3O7S — CID 114144355

IUPAC3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methoxypropanoic acid
SMILESCOC(CNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C8H11N3O7S/c1-18-4(7(13)14)2-10-19(16,17)5-3-9-8(15)11-6(5)12/h3-4,10H,2H2,1H3,(H,13,14)(H2,9,11,12,15)
InChIKeyMEATYQDVQKBWQG-UHFFFAOYSA-N
MW293.26 g/mol
LogP-2.56
Rot. Bonds6

About 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methoxypropanoic acid

3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methoxypropanoic acid (PubChem CID 114144355) has the molecular formula C8H11N3O7S and a molecular weight of 293.26 g/mol. Its IUPAC name is 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methoxypropanoic acid
PubChem CID114144355
Molecular FormulaC8H11N3O7S
Molecular Weight293.26 g/mol
Exact Mass293.03
IUPAC Name3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methoxypropanoic acid
SMILESCOC(CNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C8H11N3O7S/c1-18-4(7(13)14)2-10-19(16,17)5-3-9-8(15)11-6(5)12/h3-4,10H,2H2,1H3,(H,13,14)(H2,9,11,12,15)
InChIKeyMEATYQDVQKBWQG-UHFFFAOYSA-N
XLogP-2.56
TPSA158.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 5-2.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methoxypropanoic acid with MolForge

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Related Compounds

N-(2-methoxypropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 102697459
3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 66167300
4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methylbutanoic acid
CID 80540480
N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 43258966
2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-4-methoxybutanoic acid
CID 62478269
4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]butanoic acid
CID 43351308
3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxypropanoic acid
CID 130387264
2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methylpropanoic acid
CID 61262292
3-[(4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936683
3-[(2,4-dimethylphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936827
3-[(4-tert-butylphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936753
2-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 104936834

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methoxypropanoic acid (CID 114144355) is 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methoxypropanoic acid is COC(CNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methoxypropanoic acid?
The InChIKey is MEATYQDVQKBWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O7S/c1-18-4(7(13)14)2-10-19(16,17)5-3-9-8(15)11-6(5)12/h3-4,10H,2H2,1H3,(H,13,14)(H2,9,11,12,15).
What are the key properties of 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methoxypropanoic acid?
3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methoxypropanoic acid has a molecular weight of 293.26 g/mol, XLogP of -2.56, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methoxypropanoic acid is sourced from PubChem (CID 114144355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).