2-[2-(2-methoxyethyldisulfanyl)ethoxycarbonylamino]ethyl prop-2-enoate

C11H19NO5S2 — CID 139453995

IUPAC2-[2-(2-methoxyethyldisulfanyl)ethoxycarbonylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)OCCSSCCOC
InChIInChI=1S/C11H19NO5S2/c1-3-10(13)16-5-4-12-11(14)17-7-9-19-18-8-6-15-2/h3H,1,4-9H2,2H3,(H,12,14)
InChIKeyFNPCZQUBRGPJBV-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.47
Rot. Bonds11

About 2-[2-(2-methoxyethyldisulfanyl)ethoxycarbonylamino]ethyl prop-2-enoate

2-[2-(2-methoxyethyldisulfanyl)ethoxycarbonylamino]ethyl prop-2-enoate (PubChem CID 139453995) has the molecular formula C11H19NO5S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[2-(2-methoxyethyldisulfanyl)ethoxycarbonylamino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-(2-methoxyethyldisulfanyl)ethoxycarbonylamino]ethyl prop-2-enoate
PubChem CID139453995
Molecular FormulaC11H19NO5S2
Molecular Weight309.41 g/mol
Exact Mass309.07
IUPAC Name2-[2-(2-methoxyethyldisulfanyl)ethoxycarbonylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)OCCSSCCOC
InChIInChI=1S/C11H19NO5S2/c1-3-10(13)16-5-4-12-11(14)17-7-9-19-18-8-6-15-2/h3H,1,4-9H2,2H3,(H,12,14)
InChIKeyFNPCZQUBRGPJBV-UHFFFAOYSA-N
XLogP1.47
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethyldisulfanyl)ethyl prop-2-enoate
CID 139453919
2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl 2-methylpropanoate
CID 140648691
2-(octoxycarbonylamino)ethyl prop-2-enoate
CID 101151020
2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate
CID 87915817
2-(1-methoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate
CID 170150798
2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate
CID 162702779
2-acetamidoethyl prop-2-enoate
CID 23089005
2-(3-prop-2-enoyloxypropoxycarbonylamino)ethyl butanoate
CID 88854736
3-[6-(3-prop-2-enoyloxypropoxycarbonylamino)hexylcarbamoyloxy]propyl prop-2-enoate
CID 58975893
2-acetamidoethyl prop-2-enoate;ethane
CID 158515563
2-[2-[2,4,6-trioxo-3,5-bis[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethoxycarbonylamino]ethyl prop-2-enoate
CID 58984201
1-O-methyl 5-O-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl] 2,2,3,3-tetramethylpentanedioate
CID 155382195

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethyldisulfanyl)ethoxycarbonylamino]ethyl prop-2-enoate?
The IUPAC name of 2-[2-(2-methoxyethyldisulfanyl)ethoxycarbonylamino]ethyl prop-2-enoate (CID 139453995) is 2-[2-(2-methoxyethyldisulfanyl)ethoxycarbonylamino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-(2-methoxyethyldisulfanyl)ethoxycarbonylamino]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-(2-methoxyethyldisulfanyl)ethoxycarbonylamino]ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)OCCSSCCOC.
What is the InChIKey of 2-[2-(2-methoxyethyldisulfanyl)ethoxycarbonylamino]ethyl prop-2-enoate?
The InChIKey is FNPCZQUBRGPJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S2/c1-3-10(13)16-5-4-12-11(14)17-7-9-19-18-8-6-15-2/h3H,1,4-9H2,2H3,(H,12,14).
What are the key properties of 2-[2-(2-methoxyethyldisulfanyl)ethoxycarbonylamino]ethyl prop-2-enoate?
2-[2-(2-methoxyethyldisulfanyl)ethoxycarbonylamino]ethyl prop-2-enoate has a molecular weight of 309.41 g/mol, XLogP of 1.47, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethyldisulfanyl)ethoxycarbonylamino]ethyl prop-2-enoate is sourced from PubChem (CID 139453995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).