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

C10H13N3O6S — CID 115445419

IUPAC1-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)CCC1
InChIInChI=1S/C10H13N3O6S/c14-7-6(4-11-9(17)13-7)20(18,19)12-5-10(8(15)16)2-1-3-10/h4,12H,1-3,5H2,(H,15,16)(H2,11,13,14,17)
InChIKeyPJLSFEAORJCGFD-UHFFFAOYSA-N
MW303.30 g/mol
LogP-1.40
Rot. Bonds5

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

1-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115445419) has the molecular formula C10H13N3O6S and a molecular weight of 303.30 g/mol. Its IUPAC name is 1-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115445419
Molecular FormulaC10H13N3O6S
Molecular Weight303.30 g/mol
Exact Mass303.05
IUPAC Name1-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)CCC1
InChIInChI=1S/C10H13N3O6S/c14-7-6(4-11-9(17)13-7)20(18,19)12-5-10(8(15)16)2-1-3-10/h4,12H,1-3,5H2,(H,15,16)(H2,11,13,14,17)
InChIKeyPJLSFEAORJCGFD-UHFFFAOYSA-N
XLogP-1.40
TPSA149.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid (CID 115445419) is 1-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid is O=C(O)C1(CNS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)CCC1.
What is the InChIKey of 1-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is PJLSFEAORJCGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6S/c14-7-6(4-11-9(17)13-7)20(18,19)12-5-10(8(15)16)2-1-3-10/h4,12H,1-3,5H2,(H,15,16)(H2,11,13,14,17).
What are the key properties of 1-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid?
1-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 303.30 g/mol, XLogP of -1.40, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115445419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).