2-(2-ethoxyethylsulfonylamino)acetic acid

C6H13NO5S — CID 63245950

IUPAC2-(2-ethoxyethylsulfonylamino)acetic acid
SMILESCCOCCS(=O)(=O)NCC(=O)O
InChIInChI=1S/C6H13NO5S/c1-2-12-3-4-13(10,11)7-5-6(8)9/h7H,2-5H2,1H3,(H,8,9)
InChIKeyITAJPYNVYPTKTR-UHFFFAOYSA-N
MW211.24 g/mol
LogP-0.97
Rot. Bonds7

About 2-(2-ethoxyethylsulfonylamino)acetic acid

2-(2-ethoxyethylsulfonylamino)acetic acid (PubChem CID 63245950) has the molecular formula C6H13NO5S and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(2-ethoxyethylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-(2-ethoxyethylsulfonylamino)acetic acid
PubChem CID63245950
Molecular FormulaC6H13NO5S
Molecular Weight211.24 g/mol
Exact Mass211.05
IUPAC Name2-(2-ethoxyethylsulfonylamino)acetic acid
SMILESCCOCCS(=O)(=O)NCC(=O)O
InChIInChI=1S/C6H13NO5S/c1-2-12-3-4-13(10,11)7-5-6(8)9/h7H,2-5H2,1H3,(H,8,9)
InChIKeyITAJPYNVYPTKTR-UHFFFAOYSA-N
XLogP-0.97
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethylsulfonylamino)acetic acid?
The IUPAC name of 2-(2-ethoxyethylsulfonylamino)acetic acid (CID 63245950) is 2-(2-ethoxyethylsulfonylamino)acetic acid.
What is the SMILES notation for 2-(2-ethoxyethylsulfonylamino)acetic acid?
The canonical SMILES for 2-(2-ethoxyethylsulfonylamino)acetic acid is CCOCCS(=O)(=O)NCC(=O)O.
What is the InChIKey of 2-(2-ethoxyethylsulfonylamino)acetic acid?
The InChIKey is ITAJPYNVYPTKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO5S/c1-2-12-3-4-13(10,11)7-5-6(8)9/h7H,2-5H2,1H3,(H,8,9).
What are the key properties of 2-(2-ethoxyethylsulfonylamino)acetic acid?
2-(2-ethoxyethylsulfonylamino)acetic acid has a molecular weight of 211.24 g/mol, XLogP of -0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylsulfonylamino)acetic acid is sourced from PubChem (CID 63245950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).