2-[methoxy(methylsulfonyl)amino]propanoic acid

C5H11NO5S — CID 141109940

IUPAC2-[methoxy(methylsulfonyl)amino]propanoic acid
SMILESCON(C(C)C(=O)O)S(C)(=O)=O
InChIInChI=1S/C5H11NO5S/c1-4(5(7)8)6(11-2)12(3,9)10/h4H,1-3H3,(H,7,8)
InChIKeyJRVJYGJTZHINEU-UHFFFAOYSA-N
MW197.21 g/mol
LogP-0.72
Rot. Bonds4

About 2-[methoxy(methylsulfonyl)amino]propanoic acid

2-[methoxy(methylsulfonyl)amino]propanoic acid (PubChem CID 141109940) has the molecular formula C5H11NO5S and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-[methoxy(methylsulfonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methoxy(methylsulfonyl)amino]propanoic acid
PubChem CID141109940
Molecular FormulaC5H11NO5S
Molecular Weight197.21 g/mol
Exact Mass197.04
IUPAC Name2-[methoxy(methylsulfonyl)amino]propanoic acid
SMILESCON(C(C)C(=O)O)S(C)(=O)=O
InChIInChI=1S/C5H11NO5S/c1-4(5(7)8)6(11-2)12(3,9)10/h4H,1-3H3,(H,7,8)
InChIKeyJRVJYGJTZHINEU-UHFFFAOYSA-N
XLogP-0.72
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[Bis(methylsulfonyl)amino]propanoic acid
CID 87416674
2-[Bis(methylsulfonyl)amino]butanoic acid
CID 87416418

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(methylsulfonyl)amino]propanoic acid?
The IUPAC name of 2-[methoxy(methylsulfonyl)amino]propanoic acid (CID 141109940) is 2-[methoxy(methylsulfonyl)amino]propanoic acid.
What is the SMILES notation for 2-[methoxy(methylsulfonyl)amino]propanoic acid?
The canonical SMILES for 2-[methoxy(methylsulfonyl)amino]propanoic acid is CON(C(C)C(=O)O)S(C)(=O)=O.
What is the InChIKey of 2-[methoxy(methylsulfonyl)amino]propanoic acid?
The InChIKey is JRVJYGJTZHINEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO5S/c1-4(5(7)8)6(11-2)12(3,9)10/h4H,1-3H3,(H,7,8).
What are the key properties of 2-[methoxy(methylsulfonyl)amino]propanoic acid?
2-[methoxy(methylsulfonyl)amino]propanoic acid has a molecular weight of 197.21 g/mol, XLogP of -0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(methylsulfonyl)amino]propanoic acid is sourced from PubChem (CID 141109940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).