methyl 4-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]butanoate

C10H19NO6S — CID 55006219

IUPACmethyl 4-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)C(C)C(=O)OC
InChIInChI=1S/C10H19NO6S/c1-8(10(13)17-4)18(14,15)11(2)7-5-6-9(12)16-3/h8H,5-7H2,1-4H3
InChIKeyLOIDURDOLALSRD-UHFFFAOYSA-N
MW281.33 g/mol
LogP-0.24
Rot. Bonds7

About methyl 4-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]butanoate

methyl 4-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]butanoate (PubChem CID 55006219) has the molecular formula C10H19NO6S and a molecular weight of 281.33 g/mol. Its IUPAC name is methyl 4-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]butanoate
PubChem CID55006219
Molecular FormulaC10H19NO6S
Molecular Weight281.33 g/mol
Exact Mass281.09
IUPAC Namemethyl 4-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)C(C)C(=O)OC
InChIInChI=1S/C10H19NO6S/c1-8(10(13)17-4)18(14,15)11(2)7-5-6-9(12)16-3/h8H,5-7H2,1-4H3
InChIKeyLOIDURDOLALSRD-UHFFFAOYSA-N
XLogP-0.24
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
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

Analyze methyl 4-[(1-methoxy-1-oxopropan-2-yl)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-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]butanoate?
The IUPAC name of methyl 4-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]butanoate (CID 55006219) is methyl 4-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]butanoate.
What is the SMILES notation for methyl 4-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]butanoate?
The canonical SMILES for methyl 4-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]butanoate is COC(=O)CCCN(C)S(=O)(=O)C(C)C(=O)OC.
What is the InChIKey of methyl 4-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]butanoate?
The InChIKey is LOIDURDOLALSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6S/c1-8(10(13)17-4)18(14,15)11(2)7-5-6-9(12)16-3/h8H,5-7H2,1-4H3.
What are the key properties of methyl 4-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]butanoate?
methyl 4-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]butanoate has a molecular weight of 281.33 g/mol, XLogP of -0.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]butanoate is sourced from PubChem (CID 55006219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).