methyl 2-[(2-methoxy-2-oxoethyl)-(3-methylsulfonylpropanoyl)amino]acetate

C10H17NO7S — CID 62954646

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-(3-methylsulfonylpropanoyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H17NO7S/c1-17-9(13)6-11(7-10(14)18-2)8(12)4-5-19(3,15)16/h4-7H2,1-3H3
InChIKeyHDFZWDUJMWRKAS-UHFFFAOYSA-N
MW295.31 g/mol
LogP-1.40
Rot. Bonds7

About methyl 2-[(2-methoxy-2-oxoethyl)-(3-methylsulfonylpropanoyl)amino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-(3-methylsulfonylpropanoyl)amino]acetate (PubChem CID 62954646) has the molecular formula C10H17NO7S and a molecular weight of 295.31 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-(3-methylsulfonylpropanoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-(3-methylsulfonylpropanoyl)amino]acetate
PubChem CID62954646
Molecular FormulaC10H17NO7S
Molecular Weight295.31 g/mol
Exact Mass295.07
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-(3-methylsulfonylpropanoyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H17NO7S/c1-17-9(13)6-11(7-10(14)18-2)8(12)4-5-19(3,15)16/h4-7H2,1-3H3
InChIKeyHDFZWDUJMWRKAS-UHFFFAOYSA-N
XLogP-1.40
TPSA107.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 5-1.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[3-methylsulfonylpropanoyl(prop-2-enyl)amino]acetate
CID 78978338
methyl 2-[methyl(2-methylsulfonylethylsulfonyl)amino]acetate
CID 63242882
2-[ethyl(3-methylsulfonylpropanoyl)amino]acetic acid
CID 61021269
methyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953811
methyl 3-(3-methylsulfonylpropanoylamino)propanoate
CID 55029430
methyl 2-(3-methylsulfonylpropanoylamino)acetate
CID 43623270
methyl 8-[bis[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethyl]amino]-8-oxooctanoate
CID 170371359
ethyl 3-methylsulfonylpropanoate
CID 58565961
ethyl 4-[ethyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate
CID 54979582
bis(methyl 2-[(2-methoxy-2-oxoethyl)-(11-methoxysilylundecanoyl)amino]acetate);silane
CID 158393557
methyl 3-ethylsulfonylpropanoate
CID 19377555
methyl 2-[amino(methylsulfonyl)amino]acetate
CID 123175216

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(3-methylsulfonylpropanoyl)amino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(3-methylsulfonylpropanoyl)amino]acetate (CID 62954646) is methyl 2-[(2-methoxy-2-oxoethyl)-(3-methylsulfonylpropanoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-(3-methylsulfonylpropanoyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-(3-methylsulfonylpropanoyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)CCS(C)(=O)=O.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-(3-methylsulfonylpropanoyl)amino]acetate?
The InChIKey is HDFZWDUJMWRKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO7S/c1-17-9(13)6-11(7-10(14)18-2)8(12)4-5-19(3,15)16/h4-7H2,1-3H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-(3-methylsulfonylpropanoyl)amino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-(3-methylsulfonylpropanoyl)amino]acetate has a molecular weight of 295.31 g/mol, XLogP of -1.40, 7 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)-(3-methylsulfonylpropanoyl)amino]acetate is sourced from PubChem (CID 62954646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).