methyl 2-(2-methylsulfonylpropanoylamino)acetate

C7H13NO5S — CID 115582753

IUPACmethyl 2-(2-methylsulfonylpropanoylamino)acetate
SMILESCOC(=O)CNC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C7H13NO5S/c1-5(14(3,11)12)7(10)8-4-6(9)13-2/h5H,4H2,1-3H3,(H,8,10)
InChIKeyDUJGQMVVKUVQSR-UHFFFAOYSA-N
MW223.25 g/mol
LogP-1.29
Rot. Bonds4

About methyl 2-(2-methylsulfonylpropanoylamino)acetate

methyl 2-(2-methylsulfonylpropanoylamino)acetate (PubChem CID 115582753) has the molecular formula C7H13NO5S and a molecular weight of 223.25 g/mol. Its IUPAC name is methyl 2-(2-methylsulfonylpropanoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methylsulfonylpropanoylamino)acetate
PubChem CID115582753
Molecular FormulaC7H13NO5S
Molecular Weight223.25 g/mol
Exact Mass223.05
IUPAC Namemethyl 2-(2-methylsulfonylpropanoylamino)acetate
SMILESCOC(=O)CNC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C7H13NO5S/c1-5(14(3,11)12)7(10)8-4-6(9)13-2/h5H,4H2,1-3H3,(H,8,10)
InChIKeyDUJGQMVVKUVQSR-UHFFFAOYSA-N
XLogP-1.29
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-methylsulfonylpropanoylamino)acetate
CID 115589392
methyl 2-[[(2S)-2-hydroxypropanoyl]amino]acetate
CID 11041006
N-(2-hydroxyethyl)-2-methylsulfonylpropanamide
CID 115582870
methyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate
CID 43431214
methyl 2-[(2-amino-4-methylsulfonylbutanoyl)amino]acetate
CID 60914301
N-[2-(2-chloroethoxy)ethyl]-2-methylsulfonylpropanamide
CID 104522334
methyl 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]acetate
CID 65229564
N-methyl-2-methylsulfonylpropanamide
CID 54261132
N-[(4-chlorocyclohexyl)methyl]-2-methylsulfonylpropanamide
CID 106133562
3-hydroxy-3-methyl-4-(2-methylsulfonylpropanoylamino)butanoic acid
CID 104517700
N-(4-bromo-2,2-dimethylbutyl)-2-methylsulfonylpropanamide
CID 106143542
2-hydroxy-4-(2-methylsulfonylpropanoylamino)butanoic acid
CID 107832064

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylsulfonylpropanoylamino)acetate?
The IUPAC name of methyl 2-(2-methylsulfonylpropanoylamino)acetate (CID 115582753) is methyl 2-(2-methylsulfonylpropanoylamino)acetate.
What is the SMILES notation for methyl 2-(2-methylsulfonylpropanoylamino)acetate?
The canonical SMILES for methyl 2-(2-methylsulfonylpropanoylamino)acetate is COC(=O)CNC(=O)C(C)S(C)(=O)=O.
What is the InChIKey of methyl 2-(2-methylsulfonylpropanoylamino)acetate?
The InChIKey is DUJGQMVVKUVQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO5S/c1-5(14(3,11)12)7(10)8-4-6(9)13-2/h5H,4H2,1-3H3,(H,8,10).
What are the key properties of methyl 2-(2-methylsulfonylpropanoylamino)acetate?
methyl 2-(2-methylsulfonylpropanoylamino)acetate has a molecular weight of 223.25 g/mol, XLogP of -1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylsulfonylpropanoylamino)acetate is sourced from PubChem (CID 115582753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).