2-[2-oxo-2-[2-(pyridin-2-yldisulfanyl)ethylamino]ethoxy]ethyl 2-hydroxypropanoate

C14H20N2O5S2 — CID 163297013

IUPAC2-[2-oxo-2-[2-(pyridin-2-yldisulfanyl)ethylamino]ethoxy]ethyl 2-hydroxypropanoate
SMILESCC(O)C(=O)OCCOCC(=O)NCCSSc1ccccn1
InChIInChI=1S/C14H20N2O5S2/c1-11(17)14(19)21-8-7-20-10-12(18)15-6-9-22-23-13-4-2-3-5-16-13/h2-5,11,17H,6-10H2,1H3,(H,15,18)
InChIKeyKUIKOZDOKJSMRY-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.88
Rot. Bonds11

About 2-[2-oxo-2-[2-(pyridin-2-yldisulfanyl)ethylamino]ethoxy]ethyl 2-hydroxypropanoate

2-[2-oxo-2-[2-(pyridin-2-yldisulfanyl)ethylamino]ethoxy]ethyl 2-hydroxypropanoate (PubChem CID 163297013) has the molecular formula C14H20N2O5S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[2-oxo-2-[2-(pyridin-2-yldisulfanyl)ethylamino]ethoxy]ethyl 2-hydroxypropanoate.

Molecular Properties

Compound Name2-[2-oxo-2-[2-(pyridin-2-yldisulfanyl)ethylamino]ethoxy]ethyl 2-hydroxypropanoate
PubChem CID163297013
Molecular FormulaC14H20N2O5S2
Molecular Weight360.46 g/mol
Exact Mass360.08
IUPAC Name2-[2-oxo-2-[2-(pyridin-2-yldisulfanyl)ethylamino]ethoxy]ethyl 2-hydroxypropanoate
SMILESCC(O)C(=O)OCCOCC(=O)NCCSSc1ccccn1
InChIInChI=1S/C14H20N2O5S2/c1-11(17)14(19)21-8-7-20-10-12(18)15-6-9-22-23-13-4-2-3-5-16-13/h2-5,11,17H,6-10H2,1H3,(H,15,18)
InChIKeyKUIKOZDOKJSMRY-UHFFFAOYSA-N
XLogP0.88
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-[2-(pyridin-2-yldisulfanyl)ethylamino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 118988570
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(pyridin-2-yldisulfanyl)ethyl]propanamide
CID 118072306
3-(pyridin-2-yldisulfanyl)-N-[2-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]ethyl]propanamide
CID 156598931
3-(pyridin-2-yldisulfanyl)-N-[5-[3-(pyridin-2-yldisulfanyl)propanoylamino]pentyl]propanamide
CID 131993683
6-[2-[2-[2-[[(2S)-1-[2-[2-[2-[[(2S)-1-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethylamino]-1-oxo-6-[3-(pyridin-2-yldisulfanyl)propanoylamino]hexan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-1-oxo-6-[3-(pyridin-2-yldisulfanyl)propanoylamino]hexan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-6-oxohexanoic acid
CID 58992305
2-[2-[2-[2-(pyridin-2-yldisulfanyl)ethoxy]ethoxy]ethoxy]ethyl 2-ethylsulfanylcarbothioylsulfanylpropanoate
CID 132522487
methyl 4-[3-(pyridin-2-yldisulfanyl)propanoylamino]butanoate
CID 129092686
N-(2-iodoethyl)-3-(pyridin-2-yldisulfanyl)propanamide
CID 143766978
N-(ethoxymethyl)-3-(pyridin-2-yldisulfanyl)propanamide
CID 59937202
N-methyl-2-(pyridin-2-yldisulfanyl)ethanamine
CID 89137900
4-hydrazinyl-N-[2-(pyridin-2-yldisulfanyl)ethyl]benzamide
CID 18965737
5-[2-[2-[[(2S)-2-ethyl-6-[3-(pyridin-2-yldisulfanyl)propanoylamino]hexanoyl]amino]ethoxy]ethoxy]-4-oxopentanoic acid
CID 162036080

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[2-(pyridin-2-yldisulfanyl)ethylamino]ethoxy]ethyl 2-hydroxypropanoate?
The IUPAC name of 2-[2-oxo-2-[2-(pyridin-2-yldisulfanyl)ethylamino]ethoxy]ethyl 2-hydroxypropanoate (CID 163297013) is 2-[2-oxo-2-[2-(pyridin-2-yldisulfanyl)ethylamino]ethoxy]ethyl 2-hydroxypropanoate.
What is the SMILES notation for 2-[2-oxo-2-[2-(pyridin-2-yldisulfanyl)ethylamino]ethoxy]ethyl 2-hydroxypropanoate?
The canonical SMILES for 2-[2-oxo-2-[2-(pyridin-2-yldisulfanyl)ethylamino]ethoxy]ethyl 2-hydroxypropanoate is CC(O)C(=O)OCCOCC(=O)NCCSSc1ccccn1.
What is the InChIKey of 2-[2-oxo-2-[2-(pyridin-2-yldisulfanyl)ethylamino]ethoxy]ethyl 2-hydroxypropanoate?
The InChIKey is KUIKOZDOKJSMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S2/c1-11(17)14(19)21-8-7-20-10-12(18)15-6-9-22-23-13-4-2-3-5-16-13/h2-5,11,17H,6-10H2,1H3,(H,15,18).
What are the key properties of 2-[2-oxo-2-[2-(pyridin-2-yldisulfanyl)ethylamino]ethoxy]ethyl 2-hydroxypropanoate?
2-[2-oxo-2-[2-(pyridin-2-yldisulfanyl)ethylamino]ethoxy]ethyl 2-hydroxypropanoate has a molecular weight of 360.46 g/mol, XLogP of 0.88, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[2-(pyridin-2-yldisulfanyl)ethylamino]ethoxy]ethyl 2-hydroxypropanoate is sourced from PubChem (CID 163297013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).