2-(methanesulfonamido)-3-methoxypropanoic acid

C5H11NO5S — CID 81078131

IUPAC2-(methanesulfonamido)-3-methoxypropanoic acid
SMILESCOCC(NS(C)(=O)=O)C(=O)O
InChIInChI=1S/C5H11NO5S/c1-11-3-4(5(7)8)6-12(2,9)10/h4,6H,3H2,1-2H3,(H,7,8)
InChIKeyDTAVAFWROSAPEF-UHFFFAOYSA-N
MW197.21 g/mol
LogP-1.36
Rot. Bonds5

About 2-(methanesulfonamido)-3-methoxypropanoic acid

2-(methanesulfonamido)-3-methoxypropanoic acid (PubChem CID 81078131) has the molecular formula C5H11NO5S and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-(methanesulfonamido)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(methanesulfonamido)-3-methoxypropanoic acid
PubChem CID81078131
Molecular FormulaC5H11NO5S
Molecular Weight197.21 g/mol
Exact Mass197.04
IUPAC Name2-(methanesulfonamido)-3-methoxypropanoic acid
SMILESCOCC(NS(C)(=O)=O)C(=O)O
InChIInChI=1S/C5H11NO5S/c1-11-3-4(5(7)8)6-12(2,9)10/h4,6H,3H2,1-2H3,(H,7,8)
InChIKeyDTAVAFWROSAPEF-UHFFFAOYSA-N
XLogP-1.36
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-3-methoxypropanoic acid?
The IUPAC name of 2-(methanesulfonamido)-3-methoxypropanoic acid (CID 81078131) is 2-(methanesulfonamido)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(methanesulfonamido)-3-methoxypropanoic acid?
The canonical SMILES for 2-(methanesulfonamido)-3-methoxypropanoic acid is COCC(NS(C)(=O)=O)C(=O)O.
What is the InChIKey of 2-(methanesulfonamido)-3-methoxypropanoic acid?
The InChIKey is DTAVAFWROSAPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO5S/c1-11-3-4(5(7)8)6-12(2,9)10/h4,6H,3H2,1-2H3,(H,7,8).
What are the key properties of 2-(methanesulfonamido)-3-methoxypropanoic acid?
2-(methanesulfonamido)-3-methoxypropanoic acid has a molecular weight of 197.21 g/mol, XLogP of -1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-3-methoxypropanoic acid is sourced from PubChem (CID 81078131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).