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

C6H7N3O6S — CID 43351300

IUPAC2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H7N3O6S/c10-4(11)2-8-16(14,15)3-1-7-6(13)9-5(3)12/h1,8H,2H2,(H,10,11)(H2,7,9,12,13)
InChIKeyKYTDFGQUGVJVEX-UHFFFAOYSA-N
MW249.20 g/mol
LogP-2.57
Rot. Bonds4

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

2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetic acid (PubChem CID 43351300) has the molecular formula C6H7N3O6S and a molecular weight of 249.20 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetic acid
PubChem CID43351300
Molecular FormulaC6H7N3O6S
Molecular Weight249.20 g/mol
Exact Mass249.01
IUPAC Name2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H7N3O6S/c10-4(11)2-8-16(14,15)3-1-7-6(13)9-5(3)12/h1,8H,2H2,(H,10,11)(H2,7,9,12,13)
InChIKeyKYTDFGQUGVJVEX-UHFFFAOYSA-N
XLogP-2.57
TPSA149.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 5-2.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetic acid (CID 43351300) is 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetic acid?
The InChIKey is KYTDFGQUGVJVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O6S/c10-4(11)2-8-16(14,15)3-1-7-6(13)9-5(3)12/h1,8H,2H2,(H,10,11)(H2,7,9,12,13).
What are the key properties of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetic acid?
2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetic acid has a molecular weight of 249.20 g/mol, XLogP of -2.57, 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]acetic acid is sourced from PubChem (CID 43351300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).