methyl 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-ethylamino]propanoate

C10H15N3O6S — CID 61010503

IUPACmethyl 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O6S/c1-3-13(5-4-8(14)19-2)20(17,18)7-6-11-10(16)12-9(7)15/h6H,3-5H2,1-2H3,(H2,11,12,15,16)
InChIKeyRRGVQHLSJGLPII-UHFFFAOYSA-N
MW305.31 g/mol
LogP-1.36
Rot. Bonds6

About methyl 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-ethylamino]propanoate

methyl 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-ethylamino]propanoate (PubChem CID 61010503) has the molecular formula C10H15N3O6S and a molecular weight of 305.31 g/mol. Its IUPAC name is methyl 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-ethylamino]propanoate
PubChem CID61010503
Molecular FormulaC10H15N3O6S
Molecular Weight305.31 g/mol
Exact Mass305.07
IUPAC Namemethyl 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O6S/c1-3-13(5-4-8(14)19-2)20(17,18)7-6-11-10(16)12-9(7)15/h6H,3-5H2,1-2H3,(H2,11,12,15,16)
InChIKeyRRGVQHLSJGLPII-UHFFFAOYSA-N
XLogP-1.36
TPSA129.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-ethylamino]propanoate?
The IUPAC name of methyl 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-ethylamino]propanoate (CID 61010503) is methyl 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-ethylamino]propanoate.
What is the SMILES notation for methyl 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-ethylamino]propanoate?
The canonical SMILES for methyl 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-ethylamino]propanoate is CCN(CCC(=O)OC)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of methyl 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-ethylamino]propanoate?
The InChIKey is RRGVQHLSJGLPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O6S/c1-3-13(5-4-8(14)19-2)20(17,18)7-6-11-10(16)12-9(7)15/h6H,3-5H2,1-2H3,(H2,11,12,15,16).
What are the key properties of methyl 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-ethylamino]propanoate?
methyl 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-ethylamino]propanoate has a molecular weight of 305.31 g/mol, XLogP of -1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-ethylamino]propanoate is sourced from PubChem (CID 61010503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).