2-[2-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]sulfanylethylsulfanyl]acetic acid

C10H15NO5S2 — CID 24984346

IUPAC2-[2-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]sulfanylethylsulfanyl]acetic acid
SMILESO=C(O)CSCCSCC(=O)NC1CCOC1=O
InChIInChI=1S/C10H15NO5S2/c12-8(11-7-1-2-16-10(7)15)5-17-3-4-18-6-9(13)14/h7H,1-6H2,(H,11,12)(H,13,14)
InChIKeyLGMHLXHBEKFWEL-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.03
Rot. Bonds8

About 2-[2-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]sulfanylethylsulfanyl]acetic acid

2-[2-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]sulfanylethylsulfanyl]acetic acid (PubChem CID 24984346) has the molecular formula C10H15NO5S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[2-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]sulfanylethylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]sulfanylethylsulfanyl]acetic acid
PubChem CID24984346
Molecular FormulaC10H15NO5S2
Molecular Weight293.37 g/mol
Exact Mass293.04
IUPAC Name2-[2-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]sulfanylethylsulfanyl]acetic acid
SMILESO=C(O)CSCCSCC(=O)NC1CCOC1=O
InChIInChI=1S/C10H15NO5S2/c12-8(11-7-1-2-16-10(7)15)5-17-3-4-18-6-9(13)14/h7H,1-6H2,(H,11,12)(H,13,14)
InChIKeyLGMHLXHBEKFWEL-UHFFFAOYSA-N
XLogP-0.03
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]sulfanylethylsulfanyl]acetic acid?
The IUPAC name of 2-[2-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]sulfanylethylsulfanyl]acetic acid (CID 24984346) is 2-[2-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]sulfanylethylsulfanyl]acetic acid.
What is the SMILES notation for 2-[2-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]sulfanylethylsulfanyl]acetic acid?
The canonical SMILES for 2-[2-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]sulfanylethylsulfanyl]acetic acid is O=C(O)CSCCSCC(=O)NC1CCOC1=O.
What is the InChIKey of 2-[2-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]sulfanylethylsulfanyl]acetic acid?
The InChIKey is LGMHLXHBEKFWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S2/c12-8(11-7-1-2-16-10(7)15)5-17-3-4-18-6-9(13)14/h7H,1-6H2,(H,11,12)(H,13,14).
What are the key properties of 2-[2-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]sulfanylethylsulfanyl]acetic acid?
2-[2-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]sulfanylethylsulfanyl]acetic acid has a molecular weight of 293.37 g/mol, XLogP of -0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]sulfanylethylsulfanyl]acetic acid is sourced from PubChem (CID 24984346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).