2-[2-(ethoxyamino)-2-oxoethyl]sulfanylacetic acid

C6H11NO4S — CID 104570033

IUPAC2-[2-(ethoxyamino)-2-oxoethyl]sulfanylacetic acid
SMILESCCONC(=O)CSCC(=O)O
InChIInChI=1S/C6H11NO4S/c1-2-11-7-5(8)3-12-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
InChIKeySNKJRJWKOHAIII-UHFFFAOYSA-N
MW193.22 g/mol
LogP-0.13
Rot. Bonds6

About 2-[2-(ethoxyamino)-2-oxoethyl]sulfanylacetic acid

2-[2-(ethoxyamino)-2-oxoethyl]sulfanylacetic acid (PubChem CID 104570033) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-[2-(ethoxyamino)-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-(ethoxyamino)-2-oxoethyl]sulfanylacetic acid
PubChem CID104570033
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Name2-[2-(ethoxyamino)-2-oxoethyl]sulfanylacetic acid
SMILESCCONC(=O)CSCC(=O)O
InChIInChI=1S/C6H11NO4S/c1-2-11-7-5(8)3-12-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
InChIKeySNKJRJWKOHAIII-UHFFFAOYSA-N
XLogP-0.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethoxyamino)-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-(ethoxyamino)-2-oxoethyl]sulfanylacetic acid (CID 104570033) is 2-[2-(ethoxyamino)-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-(ethoxyamino)-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-(ethoxyamino)-2-oxoethyl]sulfanylacetic acid is CCONC(=O)CSCC(=O)O.
What is the InChIKey of 2-[2-(ethoxyamino)-2-oxoethyl]sulfanylacetic acid?
The InChIKey is SNKJRJWKOHAIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S/c1-2-11-7-5(8)3-12-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-[2-(ethoxyamino)-2-oxoethyl]sulfanylacetic acid?
2-[2-(ethoxyamino)-2-oxoethyl]sulfanylacetic acid has a molecular weight of 193.22 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethoxyamino)-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 104570033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).