2-[(2-methoxyacetyl)amino]ethanesulfinate

C5H10NO4S- — CID 89323027

IUPAC2-[(2-methoxyacetyl)amino]ethanesulfinate
SMILESCOCC(=O)NCCS(=O)[O-]
InChIInChI=1S/C5H11NO4S/c1-10-4-5(7)6-2-3-11(8)9/h2-4H2,1H3,(H,6,7)(H,8,9)/p-1
InChIKeyYXFGMMJCZRQFEQ-UHFFFAOYSA-M
MW180.20 g/mol
LogP-1.37
Rot. Bonds5

About 2-[(2-methoxyacetyl)amino]ethanesulfinate

2-[(2-methoxyacetyl)amino]ethanesulfinate (PubChem CID 89323027) has the molecular formula C5H10NO4S- and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-[(2-methoxyacetyl)amino]ethanesulfinate.

Molecular Properties

Compound Name2-[(2-methoxyacetyl)amino]ethanesulfinate
PubChem CID89323027
Molecular FormulaC5H10NO4S-
Molecular Weight180.20 g/mol
Exact Mass180.03
IUPAC Name2-[(2-methoxyacetyl)amino]ethanesulfinate
SMILESCOCC(=O)NCCS(=O)[O-]
InChIInChI=1S/C5H11NO4S/c1-10-4-5(7)6-2-3-11(8)9/h2-4H2,1H3,(H,6,7)(H,8,9)/p-1
InChIKeyYXFGMMJCZRQFEQ-UHFFFAOYSA-M
XLogP-1.37
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-1.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyacetyl)amino]ethanesulfinate?
The IUPAC name of 2-[(2-methoxyacetyl)amino]ethanesulfinate (CID 89323027) is 2-[(2-methoxyacetyl)amino]ethanesulfinate.
What is the SMILES notation for 2-[(2-methoxyacetyl)amino]ethanesulfinate?
The canonical SMILES for 2-[(2-methoxyacetyl)amino]ethanesulfinate is COCC(=O)NCCS(=O)[O-].
What is the InChIKey of 2-[(2-methoxyacetyl)amino]ethanesulfinate?
The InChIKey is YXFGMMJCZRQFEQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO4S/c1-10-4-5(7)6-2-3-11(8)9/h2-4H2,1H3,(H,6,7)(H,8,9)/p-1.
What are the key properties of 2-[(2-methoxyacetyl)amino]ethanesulfinate?
2-[(2-methoxyacetyl)amino]ethanesulfinate has a molecular weight of 180.20 g/mol, XLogP of -1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyacetyl)amino]ethanesulfinate is sourced from PubChem (CID 89323027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).