methyl 2-[(2-methoxy-2-oxoethyl)-(2-propan-2-ylsulfonylethyl)amino]acetate

C11H21NO6S — CID 103734576

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-(2-propan-2-ylsulfonylethyl)amino]acetate
SMILESCOC(=O)CN(CCS(=O)(=O)C(C)C)CC(=O)OC
InChIInChI=1S/C11H21NO6S/c1-9(2)19(15,16)6-5-12(7-10(13)17-3)8-11(14)18-4/h9H,5-8H2,1-4H3
InChIKeyAUHBTBUJWCNRCA-UHFFFAOYSA-N
MW295.36 g/mol
LogP-0.54
Rot. Bonds8

About methyl 2-[(2-methoxy-2-oxoethyl)-(2-propan-2-ylsulfonylethyl)amino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-(2-propan-2-ylsulfonylethyl)amino]acetate (PubChem CID 103734576) has the molecular formula C11H21NO6S and a molecular weight of 295.36 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-(2-propan-2-ylsulfonylethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-(2-propan-2-ylsulfonylethyl)amino]acetate
PubChem CID103734576
Molecular FormulaC11H21NO6S
Molecular Weight295.36 g/mol
Exact Mass295.11
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-(2-propan-2-ylsulfonylethyl)amino]acetate
SMILESCOC(=O)CN(CCS(=O)(=O)C(C)C)CC(=O)OC
InChIInChI=1S/C11H21NO6S/c1-9(2)19(15,16)6-5-12(7-10(13)17-3)8-11(14)18-4/h9H,5-8H2,1-4H3
InChIKeyAUHBTBUJWCNRCA-UHFFFAOYSA-N
XLogP-0.54
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
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 2-[(2-methoxy-2-oxoethyl)-(2-propan-2-ylsulfonylethyl)amino]acetate with MolForge

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Related Compounds

methyl 3-propan-2-ylsulfonylpropanoate
CID 60874578
2-[2-propan-2-ylsulfonylethyl(propyl)amino]acetic acid
CID 104589670
methyl 2-[2-chloroethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 139666753
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
CID 87578927
methyl 2-[methyl(propan-2-ylsulfonyl)amino]acetate
CID 60865310
methyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955024
2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
CID 19388423
methyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 19426049
methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 90025602
N-(2-bromoethyl)-2-methoxy-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106731282
2-[ethyl(2-propan-2-ylsulfonylethyl)amino]ethanethioamide
CID 106724838
methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate
CID 142240195

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(2-propan-2-ylsulfonylethyl)amino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(2-propan-2-ylsulfonylethyl)amino]acetate (CID 103734576) is methyl 2-[(2-methoxy-2-oxoethyl)-(2-propan-2-ylsulfonylethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-(2-propan-2-ylsulfonylethyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-(2-propan-2-ylsulfonylethyl)amino]acetate is COC(=O)CN(CCS(=O)(=O)C(C)C)CC(=O)OC.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-(2-propan-2-ylsulfonylethyl)amino]acetate?
The InChIKey is AUHBTBUJWCNRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO6S/c1-9(2)19(15,16)6-5-12(7-10(13)17-3)8-11(14)18-4/h9H,5-8H2,1-4H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-(2-propan-2-ylsulfonylethyl)amino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-(2-propan-2-ylsulfonylethyl)amino]acetate has a molecular weight of 295.36 g/mol, XLogP of -0.54, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-(2-propan-2-ylsulfonylethyl)amino]acetate is sourced from PubChem (CID 103734576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).