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

C7H9N3O6S — CID 43169503

IUPAC2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C7H9N3O6S/c1-3(6(12)13)10-17(15,16)4-2-8-7(14)9-5(4)11/h2-3,10H,1H3,(H,12,13)(H2,8,9,11,14)
InChIKeySSMFVUXJBBYSQK-UHFFFAOYSA-N
MW263.23 g/mol
LogP-2.19
Rot. Bonds4

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

2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]propanoic acid (PubChem CID 43169503) has the molecular formula C7H9N3O6S and a molecular weight of 263.23 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]propanoic acid
PubChem CID43169503
Molecular FormulaC7H9N3O6S
Molecular Weight263.23 g/mol
Exact Mass263.02
IUPAC Name2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C7H9N3O6S/c1-3(6(12)13)10-17(15,16)4-2-8-7(14)9-5(4)11/h2-3,10H,1H3,(H,12,13)(H2,8,9,11,14)
InChIKeySSMFVUXJBBYSQK-UHFFFAOYSA-N
XLogP-2.19
TPSA149.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 5-2.19
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]propanoic acid?
The IUPAC name of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]propanoic acid (CID 43169503) is 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]propanoic acid is CC(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]propanoic acid?
The InChIKey is SSMFVUXJBBYSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O6S/c1-3(6(12)13)10-17(15,16)4-2-8-7(14)9-5(4)11/h2-3,10H,1H3,(H,12,13)(H2,8,9,11,14).
What are the key properties of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]propanoic acid?
2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]propanoic acid has a molecular weight of 263.23 g/mol, XLogP of -2.19, 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]propanoic acid is sourced from PubChem (CID 43169503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).