bis(prop-2-enyl) 2-(2-amino-2-ethoxyethyl)-2-morpholin-4-ylpropanedioate

C17H28N2O6 — CID 54214318

IUPACbis(prop-2-enyl) 2-(2-amino-2-ethoxyethyl)-2-morpholin-4-ylpropanedioate
SMILESC=CCOC(=O)C(CC(N)OCC)(C(=O)OCC=C)N1CCOCC1
InChIInChI=1S/C17H28N2O6/c1-4-9-24-15(20)17(13-14(18)23-6-3,16(21)25-10-5-2)19-7-11-22-12-8-19/h4-5,14H,1-2,6-13,18H2,3H3
InChIKeyPYBSBLDENIEZJK-UHFFFAOYSA-N
MW356.42 g/mol
LogP0.23
Rot. Bonds11

About bis(prop-2-enyl) 2-(2-amino-2-ethoxyethyl)-2-morpholin-4-ylpropanedioate

bis(prop-2-enyl) 2-(2-amino-2-ethoxyethyl)-2-morpholin-4-ylpropanedioate (PubChem CID 54214318) has the molecular formula C17H28N2O6 and a molecular weight of 356.42 g/mol. Its IUPAC name is bis(prop-2-enyl) 2-(2-amino-2-ethoxyethyl)-2-morpholin-4-ylpropanedioate.

Molecular Properties

Compound Namebis(prop-2-enyl) 2-(2-amino-2-ethoxyethyl)-2-morpholin-4-ylpropanedioate
PubChem CID54214318
Molecular FormulaC17H28N2O6
Molecular Weight356.42 g/mol
Exact Mass356.19
IUPAC Namebis(prop-2-enyl) 2-(2-amino-2-ethoxyethyl)-2-morpholin-4-ylpropanedioate
SMILESC=CCOC(=O)C(CC(N)OCC)(C(=O)OCC=C)N1CCOCC1
InChIInChI=1S/C17H28N2O6/c1-4-9-24-15(20)17(13-14(18)23-6-3,16(21)25-10-5-2)19-7-11-22-12-8-19/h4-5,14H,1-2,6-13,18H2,3H3
InChIKeyPYBSBLDENIEZJK-UHFFFAOYSA-N
XLogP0.23
TPSA100.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) 2-(2-amino-2-ethoxyethyl)-2-morpholin-4-ylpropanedioate?
The IUPAC name of bis(prop-2-enyl) 2-(2-amino-2-ethoxyethyl)-2-morpholin-4-ylpropanedioate (CID 54214318) is bis(prop-2-enyl) 2-(2-amino-2-ethoxyethyl)-2-morpholin-4-ylpropanedioate.
What is the SMILES notation for bis(prop-2-enyl) 2-(2-amino-2-ethoxyethyl)-2-morpholin-4-ylpropanedioate?
The canonical SMILES for bis(prop-2-enyl) 2-(2-amino-2-ethoxyethyl)-2-morpholin-4-ylpropanedioate is C=CCOC(=O)C(CC(N)OCC)(C(=O)OCC=C)N1CCOCC1.
What is the InChIKey of bis(prop-2-enyl) 2-(2-amino-2-ethoxyethyl)-2-morpholin-4-ylpropanedioate?
The InChIKey is PYBSBLDENIEZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O6/c1-4-9-24-15(20)17(13-14(18)23-6-3,16(21)25-10-5-2)19-7-11-22-12-8-19/h4-5,14H,1-2,6-13,18H2,3H3.
What are the key properties of bis(prop-2-enyl) 2-(2-amino-2-ethoxyethyl)-2-morpholin-4-ylpropanedioate?
bis(prop-2-enyl) 2-(2-amino-2-ethoxyethyl)-2-morpholin-4-ylpropanedioate has a molecular weight of 356.42 g/mol, XLogP of 0.23, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) 2-(2-amino-2-ethoxyethyl)-2-morpholin-4-ylpropanedioate is sourced from PubChem (CID 54214318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).