methyl 2-(methanesulfonamido)propanoate

C5H11NO4S — CID 13443881

IUPACmethyl 2-(methanesulfonamido)propanoate
SMILESCOC(=O)C(C)NS(C)(=O)=O
InChIInChI=1S/C5H11NO4S/c1-4(5(7)10-2)6-11(3,8)9/h4,6H,1-3H3
InChIKeyIZXCMJYFDJATPE-UHFFFAOYSA-N
MW181.21 g/mol
LogP-0.90
Rot. Bonds3

About methyl 2-(methanesulfonamido)propanoate

methyl 2-(methanesulfonamido)propanoate (PubChem CID 13443881) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is methyl 2-(methanesulfonamido)propanoate.

Molecular Properties

Compound Namemethyl 2-(methanesulfonamido)propanoate
PubChem CID13443881
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Namemethyl 2-(methanesulfonamido)propanoate
SMILESCOC(=O)C(C)NS(C)(=O)=O
InChIInChI=1S/C5H11NO4S/c1-4(5(7)10-2)6-11(3,8)9/h4,6H,1-3H3
InChIKeyIZXCMJYFDJATPE-UHFFFAOYSA-N
XLogP-0.90
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(methanesulfonamido)propanoate?
The IUPAC name of methyl 2-(methanesulfonamido)propanoate (CID 13443881) is methyl 2-(methanesulfonamido)propanoate.
What is the SMILES notation for methyl 2-(methanesulfonamido)propanoate?
The canonical SMILES for methyl 2-(methanesulfonamido)propanoate is COC(=O)C(C)NS(C)(=O)=O.
What is the InChIKey of methyl 2-(methanesulfonamido)propanoate?
The InChIKey is IZXCMJYFDJATPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S/c1-4(5(7)10-2)6-11(3,8)9/h4,6H,1-3H3.
What are the key properties of methyl 2-(methanesulfonamido)propanoate?
methyl 2-(methanesulfonamido)propanoate has a molecular weight of 181.21 g/mol, XLogP of -0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methanesulfonamido)propanoate is sourced from PubChem (CID 13443881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).