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

C7H9N3O7S — CID 66167300

IUPAC3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-hydroxypropanoic acid
SMILESO=C(O)C(O)CNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H9N3O7S/c11-3(6(13)14)1-9-18(16,17)4-2-8-7(15)10-5(4)12/h2-3,9,11H,1H2,(H,13,14)(H2,8,10,12,15)
InChIKeyDQCZOJOLVPHAAU-UHFFFAOYSA-N
MW279.23 g/mol
LogP-3.21
Rot. Bonds5

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

3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-hydroxypropanoic acid (PubChem CID 66167300) has the molecular formula C7H9N3O7S and a molecular weight of 279.23 g/mol. Its IUPAC name is 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-hydroxypropanoic acid
PubChem CID66167300
Molecular FormulaC7H9N3O7S
Molecular Weight279.23 g/mol
Exact Mass279.02
IUPAC Name3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-hydroxypropanoic acid
SMILESO=C(O)C(O)CNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H9N3O7S/c11-3(6(13)14)1-9-18(16,17)4-2-8-7(15)10-5(4)12/h2-3,9,11H,1H2,(H,13,14)(H2,8,10,12,15)
InChIKeyDQCZOJOLVPHAAU-UHFFFAOYSA-N
XLogP-3.21
TPSA169.42 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 5-3.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-hydroxypropanoic acid (CID 66167300) is 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-hydroxypropanoic acid is O=C(O)C(O)CNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-hydroxypropanoic acid?
The InChIKey is DQCZOJOLVPHAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O7S/c11-3(6(13)14)1-9-18(16,17)4-2-8-7(15)10-5(4)12/h2-3,9,11H,1H2,(H,13,14)(H2,8,10,12,15).
What are the key properties of 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-hydroxypropanoic acid?
3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-hydroxypropanoic acid has a molecular weight of 279.23 g/mol, XLogP of -3.21, 5 rotatable bonds, 5 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-hydroxypropanoic acid is sourced from PubChem (CID 66167300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).