methyl 4-[(2-methoxy-2-oxoethyl)sulfonyl-methylamino]butanoate

C9H17NO6S — CID 55006218

IUPACmethyl 4-[(2-methoxy-2-oxoethyl)sulfonyl-methylamino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)CC(=O)OC
InChIInChI=1S/C9H17NO6S/c1-10(6-4-5-8(11)15-2)17(13,14)7-9(12)16-3/h4-7H2,1-3H3
InChIKeyFYQXZDJVMAUUFF-UHFFFAOYSA-N
MW267.30 g/mol
LogP-0.63
Rot. Bonds7

About methyl 4-[(2-methoxy-2-oxoethyl)sulfonyl-methylamino]butanoate

methyl 4-[(2-methoxy-2-oxoethyl)sulfonyl-methylamino]butanoate (PubChem CID 55006218) has the molecular formula C9H17NO6S and a molecular weight of 267.30 g/mol. Its IUPAC name is methyl 4-[(2-methoxy-2-oxoethyl)sulfonyl-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(2-methoxy-2-oxoethyl)sulfonyl-methylamino]butanoate
PubChem CID55006218
Molecular FormulaC9H17NO6S
Molecular Weight267.30 g/mol
Exact Mass267.08
IUPAC Namemethyl 4-[(2-methoxy-2-oxoethyl)sulfonyl-methylamino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)CC(=O)OC
InChIInChI=1S/C9H17NO6S/c1-10(6-4-5-8(11)15-2)17(13,14)7-9(12)16-3/h4-7H2,1-3H3
InChIKeyFYQXZDJVMAUUFF-UHFFFAOYSA-N
XLogP-0.63
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(2-methoxy-2-oxoethyl)sulfonyl-methylamino]butanoate 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 4-[(2-methoxy-2-oxoethyl)sulfonyl-methylamino]butanoate?
The IUPAC name of methyl 4-[(2-methoxy-2-oxoethyl)sulfonyl-methylamino]butanoate (CID 55006218) is methyl 4-[(2-methoxy-2-oxoethyl)sulfonyl-methylamino]butanoate.
What is the SMILES notation for methyl 4-[(2-methoxy-2-oxoethyl)sulfonyl-methylamino]butanoate?
The canonical SMILES for methyl 4-[(2-methoxy-2-oxoethyl)sulfonyl-methylamino]butanoate is COC(=O)CCCN(C)S(=O)(=O)CC(=O)OC.
What is the InChIKey of methyl 4-[(2-methoxy-2-oxoethyl)sulfonyl-methylamino]butanoate?
The InChIKey is FYQXZDJVMAUUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6S/c1-10(6-4-5-8(11)15-2)17(13,14)7-9(12)16-3/h4-7H2,1-3H3.
What are the key properties of methyl 4-[(2-methoxy-2-oxoethyl)sulfonyl-methylamino]butanoate?
methyl 4-[(2-methoxy-2-oxoethyl)sulfonyl-methylamino]butanoate has a molecular weight of 267.30 g/mol, XLogP of -0.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methoxy-2-oxoethyl)sulfonyl-methylamino]butanoate is sourced from PubChem (CID 55006218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).