methyl 3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate

C10H19NO6S — CID 54951257

IUPACmethyl 3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate
SMILESCCN(CCC(=O)OC)S(=O)(=O)CCC(=O)OC
InChIInChI=1S/C10H19NO6S/c1-4-11(7-5-9(12)16-2)18(14,15)8-6-10(13)17-3/h4-8H2,1-3H3
InChIKeyUTPGDSCPGQHDKH-UHFFFAOYSA-N
MW281.33 g/mol
LogP-0.24
Rot. Bonds8

About methyl 3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate

methyl 3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate (PubChem CID 54951257) has the molecular formula C10H19NO6S and a molecular weight of 281.33 g/mol. Its IUPAC name is methyl 3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate
PubChem CID54951257
Molecular FormulaC10H19NO6S
Molecular Weight281.33 g/mol
Exact Mass281.09
IUPAC Namemethyl 3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate
SMILESCCN(CCC(=O)OC)S(=O)(=O)CCC(=O)OC
InChIInChI=1S/C10H19NO6S/c1-4-11(7-5-9(12)16-2)18(14,15)8-6-10(13)17-3/h4-8H2,1-3H3
InChIKeyUTPGDSCPGQHDKH-UHFFFAOYSA-N
XLogP-0.24
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate?
The IUPAC name of methyl 3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate (CID 54951257) is methyl 3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate?
The canonical SMILES for methyl 3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate is CCN(CCC(=O)OC)S(=O)(=O)CCC(=O)OC.
What is the InChIKey of methyl 3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate?
The InChIKey is UTPGDSCPGQHDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6S/c1-4-11(7-5-9(12)16-2)18(14,15)8-6-10(13)17-3/h4-8H2,1-3H3.
What are the key properties of methyl 3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate?
methyl 3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate has a molecular weight of 281.33 g/mol, XLogP of -0.24, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate is sourced from PubChem (CID 54951257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).