methyl 2-acetamido-3-(methanesulfonamido)propanoate

C7H14N2O5S — CID 123707802

IUPACmethyl 2-acetamido-3-(methanesulfonamido)propanoate
SMILESCOC(=O)C(CNS(C)(=O)=O)NC(C)=O
InChIInChI=1S/C7H14N2O5S/c1-5(10)9-6(7(11)14-2)4-8-15(3,12)13/h6,8H,4H2,1-3H3,(H,9,10)
InChIKeyHIXRGANNABNVHJ-UHFFFAOYSA-N
MW238.26 g/mol
LogP-1.79
Rot. Bonds5

About methyl 2-acetamido-3-(methanesulfonamido)propanoate

methyl 2-acetamido-3-(methanesulfonamido)propanoate (PubChem CID 123707802) has the molecular formula C7H14N2O5S and a molecular weight of 238.26 g/mol. Its IUPAC name is methyl 2-acetamido-3-(methanesulfonamido)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(methanesulfonamido)propanoate
PubChem CID123707802
Molecular FormulaC7H14N2O5S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Namemethyl 2-acetamido-3-(methanesulfonamido)propanoate
SMILESCOC(=O)C(CNS(C)(=O)=O)NC(C)=O
InChIInChI=1S/C7H14N2O5S/c1-5(10)9-6(7(11)14-2)4-8-15(3,12)13/h6,8H,4H2,1-3H3,(H,9,10)
InChIKeyHIXRGANNABNVHJ-UHFFFAOYSA-N
XLogP-1.79
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(methanesulfonamido)propanoate?
The IUPAC name of methyl 2-acetamido-3-(methanesulfonamido)propanoate (CID 123707802) is methyl 2-acetamido-3-(methanesulfonamido)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(methanesulfonamido)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(methanesulfonamido)propanoate is COC(=O)C(CNS(C)(=O)=O)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-(methanesulfonamido)propanoate?
The InChIKey is HIXRGANNABNVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5S/c1-5(10)9-6(7(11)14-2)4-8-15(3,12)13/h6,8H,4H2,1-3H3,(H,9,10).
What are the key properties of methyl 2-acetamido-3-(methanesulfonamido)propanoate?
methyl 2-acetamido-3-(methanesulfonamido)propanoate has a molecular weight of 238.26 g/mol, XLogP of -1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(methanesulfonamido)propanoate is sourced from PubChem (CID 123707802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).