methyl 3-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoate

C9H17NO6S — CID 54951273

IUPACmethyl 3-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoate
SMILESCCOC(=O)CCS(=O)(=O)NCCC(=O)OC
InChIInChI=1S/C9H17NO6S/c1-3-16-9(12)5-7-17(13,14)10-6-4-8(11)15-2/h10H,3-7H2,1-2H3
InChIKeyMSRXYWCYIYMYTG-UHFFFAOYSA-N
MW267.30 g/mol
LogP-0.58
Rot. Bonds8

About methyl 3-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoate

methyl 3-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoate (PubChem CID 54951273) has the molecular formula C9H17NO6S and a molecular weight of 267.30 g/mol. Its IUPAC name is methyl 3-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoate
PubChem CID54951273
Molecular FormulaC9H17NO6S
Molecular Weight267.30 g/mol
Exact Mass267.08
IUPAC Namemethyl 3-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoate
SMILESCCOC(=O)CCS(=O)(=O)NCCC(=O)OC
InChIInChI=1S/C9H17NO6S/c1-3-16-9(12)5-7-17(13,14)10-6-4-8(11)15-2/h10H,3-7H2,1-2H3
InChIKeyMSRXYWCYIYMYTG-UHFFFAOYSA-N
XLogP-0.58
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoate?
The IUPAC name of methyl 3-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoate (CID 54951273) is methyl 3-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 3-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoate?
The canonical SMILES for methyl 3-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoate is CCOC(=O)CCS(=O)(=O)NCCC(=O)OC.
What is the InChIKey of methyl 3-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoate?
The InChIKey is MSRXYWCYIYMYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6S/c1-3-16-9(12)5-7-17(13,14)10-6-4-8(11)15-2/h10H,3-7H2,1-2H3.
What are the key properties of methyl 3-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoate?
methyl 3-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoate has a molecular weight of 267.30 g/mol, XLogP of -0.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoate is sourced from PubChem (CID 54951273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).