2-[2-[3-oxo-3-[2-(3-oxobutanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate

C17H26N2O8 — CID 58882685

IUPAC2-[2-[3-oxo-3-[2-(3-oxobutanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCOC(=O)CC(=O)NCCNC(=O)CC(C)=O
InChIInChI=1S/C17H26N2O8/c1-12(2)17(24)27-9-7-25-6-8-26-16(23)11-15(22)19-5-4-18-14(21)10-13(3)20/h1,4-11H2,2-3H3,(H,18,21)(H,19,22)
InChIKeyVFJPUVPBBJHVGI-UHFFFAOYSA-N
MW386.40 g/mol
LogP-0.73
Rot. Bonds14

About 2-[2-[3-oxo-3-[2-(3-oxobutanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate

2-[2-[3-oxo-3-[2-(3-oxobutanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 58882685) has the molecular formula C17H26N2O8 and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-[2-[3-oxo-3-[2-(3-oxobutanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-[3-oxo-3-[2-(3-oxobutanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate
PubChem CID58882685
Molecular FormulaC17H26N2O8
Molecular Weight386.40 g/mol
Exact Mass386.17
IUPAC Name2-[2-[3-oxo-3-[2-(3-oxobutanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCOC(=O)CC(=O)NCCNC(=O)CC(C)=O
InChIInChI=1S/C17H26N2O8/c1-12(2)17(24)27-9-7-25-6-8-26-16(23)11-15(22)19-5-4-18-14(21)10-13(3)20/h1,4-11H2,2-3H3,(H,18,21)(H,19,22)
InChIKeyVFJPUVPBBJHVGI-UHFFFAOYSA-N
XLogP-0.73
TPSA137.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-oxo-3-[2-(3-oxobutanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-[3-oxo-3-[2-(3-oxobutanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate (CID 58882685) is 2-[2-[3-oxo-3-[2-(3-oxobutanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-[3-oxo-3-[2-(3-oxobutanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-[3-oxo-3-[2-(3-oxobutanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCOC(=O)CC(=O)NCCNC(=O)CC(C)=O.
What is the InChIKey of 2-[2-[3-oxo-3-[2-(3-oxobutanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is VFJPUVPBBJHVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O8/c1-12(2)17(24)27-9-7-25-6-8-26-16(23)11-15(22)19-5-4-18-14(21)10-13(3)20/h1,4-11H2,2-3H3,(H,18,21)(H,19,22).
What are the key properties of 2-[2-[3-oxo-3-[2-(3-oxobutanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate?
2-[2-[3-oxo-3-[2-(3-oxobutanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 386.40 g/mol, XLogP of -0.73, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-oxo-3-[2-(3-oxobutanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 58882685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).