bis(2-aminoethyl) (2S,3R,4S,5R)-2-ethenyl-5-(2-phenylethenyl)oxolane-3,4-dicarboxylate

C20H26N2O5 — CID 66908522

IUPACbis(2-aminoethyl) (2S,3R,4S,5R)-2-ethenyl-5-(2-phenylethenyl)oxolane-3,4-dicarboxylate
SMILESC=C[C@@H]1O[C@H](C=Cc2ccccc2)[C@@H](C(=O)OCCN)[C@H]1C(=O)OCCN
InChIInChI=1S/C20H26N2O5/c1-2-15-17(19(23)25-12-10-21)18(20(24)26-13-11-22)16(27-15)9-8-14-6-4-3-5-7-14/h2-9,15-18H,1,10-13,21-22H2/t15-,16+,17-,18+/m0/s1
InChIKeyOIJSURABCFIGNT-XWTMOSNGSA-N
MW374.44 g/mol
LogP0.89
Rot. Bonds9

About bis(2-aminoethyl) (2S,3R,4S,5R)-2-ethenyl-5-(2-phenylethenyl)oxolane-3,4-dicarboxylate

bis(2-aminoethyl) (2S,3R,4S,5R)-2-ethenyl-5-(2-phenylethenyl)oxolane-3,4-dicarboxylate (PubChem CID 66908522) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is bis(2-aminoethyl) (2S,3R,4S,5R)-2-ethenyl-5-(2-phenylethenyl)oxolane-3,4-dicarboxylate.

Molecular Properties

Compound Namebis(2-aminoethyl) (2S,3R,4S,5R)-2-ethenyl-5-(2-phenylethenyl)oxolane-3,4-dicarboxylate
PubChem CID66908522
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Namebis(2-aminoethyl) (2S,3R,4S,5R)-2-ethenyl-5-(2-phenylethenyl)oxolane-3,4-dicarboxylate
SMILESC=C[C@@H]1O[C@H](C=Cc2ccccc2)[C@@H](C(=O)OCCN)[C@H]1C(=O)OCCN
InChIInChI=1S/C20H26N2O5/c1-2-15-17(19(23)25-12-10-21)18(20(24)26-13-11-22)16(27-15)9-8-14-6-4-3-5-7-14/h2-9,15-18H,1,10-13,21-22H2/t15-,16+,17-,18+/m0/s1
InChIKeyOIJSURABCFIGNT-XWTMOSNGSA-N
XLogP0.89
TPSA113.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-aminoethyl) (2S,3R,4S,5R)-2-ethenyl-5-(2-phenylethenyl)oxolane-3,4-dicarboxylate?
The IUPAC name of bis(2-aminoethyl) (2S,3R,4S,5R)-2-ethenyl-5-(2-phenylethenyl)oxolane-3,4-dicarboxylate (CID 66908522) is bis(2-aminoethyl) (2S,3R,4S,5R)-2-ethenyl-5-(2-phenylethenyl)oxolane-3,4-dicarboxylate.
What is the SMILES notation for bis(2-aminoethyl) (2S,3R,4S,5R)-2-ethenyl-5-(2-phenylethenyl)oxolane-3,4-dicarboxylate?
The canonical SMILES for bis(2-aminoethyl) (2S,3R,4S,5R)-2-ethenyl-5-(2-phenylethenyl)oxolane-3,4-dicarboxylate is C=C[C@@H]1O[C@H](C=Cc2ccccc2)[C@@H](C(=O)OCCN)[C@H]1C(=O)OCCN.
What is the InChIKey of bis(2-aminoethyl) (2S,3R,4S,5R)-2-ethenyl-5-(2-phenylethenyl)oxolane-3,4-dicarboxylate?
The InChIKey is OIJSURABCFIGNT-XWTMOSNGSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-2-15-17(19(23)25-12-10-21)18(20(24)26-13-11-22)16(27-15)9-8-14-6-4-3-5-7-14/h2-9,15-18H,1,10-13,21-22H2/t15-,16+,17-,18+/m0/s1.
What are the key properties of bis(2-aminoethyl) (2S,3R,4S,5R)-2-ethenyl-5-(2-phenylethenyl)oxolane-3,4-dicarboxylate?
bis(2-aminoethyl) (2S,3R,4S,5R)-2-ethenyl-5-(2-phenylethenyl)oxolane-3,4-dicarboxylate has a molecular weight of 374.44 g/mol, XLogP of 0.89, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminoethyl) (2S,3R,4S,5R)-2-ethenyl-5-(2-phenylethenyl)oxolane-3,4-dicarboxylate is sourced from PubChem (CID 66908522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).