methyl 3-[(3-methoxy-3-oxopropyl)-(2-methylsulfonylethyl)amino]propanoate

C11H21NO6S — CID 89373024

IUPACmethyl 3-[(3-methoxy-3-oxopropyl)-(2-methylsulfonylethyl)amino]propanoate
SMILESCOC(=O)CCN(CCC(=O)OC)CCS(C)(=O)=O
InChIInChI=1S/C11H21NO6S/c1-17-10(13)4-6-12(7-5-11(14)18-2)8-9-19(3,15)16/h4-9H2,1-3H3
InChIKeyPDUWQSNHUGLOBC-UHFFFAOYSA-N
MW295.36 g/mol
LogP-0.54
Rot. Bonds9

About methyl 3-[(3-methoxy-3-oxopropyl)-(2-methylsulfonylethyl)amino]propanoate

methyl 3-[(3-methoxy-3-oxopropyl)-(2-methylsulfonylethyl)amino]propanoate (PubChem CID 89373024) has the molecular formula C11H21NO6S and a molecular weight of 295.36 g/mol. Its IUPAC name is methyl 3-[(3-methoxy-3-oxopropyl)-(2-methylsulfonylethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-methoxy-3-oxopropyl)-(2-methylsulfonylethyl)amino]propanoate
PubChem CID89373024
Molecular FormulaC11H21NO6S
Molecular Weight295.36 g/mol
Exact Mass295.11
IUPAC Namemethyl 3-[(3-methoxy-3-oxopropyl)-(2-methylsulfonylethyl)amino]propanoate
SMILESCOC(=O)CCN(CCC(=O)OC)CCS(C)(=O)=O
InChIInChI=1S/C11H21NO6S/c1-17-10(13)4-6-12(7-5-11(14)18-2)8-9-19(3,15)16/h4-9H2,1-3H3
InChIKeyPDUWQSNHUGLOBC-UHFFFAOYSA-N
XLogP-0.54
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(3-methoxy-3-oxopropyl)-(2-methylsulfonylethyl)amino]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-methoxy-3-oxopropyl)-(2-methylsulfonylethyl)amino]propanoate?
The IUPAC name of methyl 3-[(3-methoxy-3-oxopropyl)-(2-methylsulfonylethyl)amino]propanoate (CID 89373024) is methyl 3-[(3-methoxy-3-oxopropyl)-(2-methylsulfonylethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(3-methoxy-3-oxopropyl)-(2-methylsulfonylethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(3-methoxy-3-oxopropyl)-(2-methylsulfonylethyl)amino]propanoate is COC(=O)CCN(CCC(=O)OC)CCS(C)(=O)=O.
What is the InChIKey of methyl 3-[(3-methoxy-3-oxopropyl)-(2-methylsulfonylethyl)amino]propanoate?
The InChIKey is PDUWQSNHUGLOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO6S/c1-17-10(13)4-6-12(7-5-11(14)18-2)8-9-19(3,15)16/h4-9H2,1-3H3.
What are the key properties of methyl 3-[(3-methoxy-3-oxopropyl)-(2-methylsulfonylethyl)amino]propanoate?
methyl 3-[(3-methoxy-3-oxopropyl)-(2-methylsulfonylethyl)amino]propanoate has a molecular weight of 295.36 g/mol, XLogP of -0.54, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methoxy-3-oxopropyl)-(2-methylsulfonylethyl)amino]propanoate is sourced from PubChem (CID 89373024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).