[(E)-2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]ethenyl] prop-2-enoate

C15H24N2O5 — CID 146513220

IUPAC[(E)-2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]ethenyl] prop-2-enoate
SMILESC=CC(=O)O/C=C/NC(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C15H24N2O5/c1-6-12(18)21-8-7-16-13(19)22-11-9-14(2,3)17(20)15(4,5)10-11/h6-8,11,20H,1,9-10H2,2-5H3,(H,16,19)/b8-7+
InChIKeyGABIFAKQPMASBR-BQYQJAHWSA-N
MW312.37 g/mol
LogP2.32
Rot. Bonds4

About [(E)-2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]ethenyl] prop-2-enoate

[(E)-2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]ethenyl] prop-2-enoate (PubChem CID 146513220) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is [(E)-2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]ethenyl] prop-2-enoate.

Molecular Properties

Compound Name[(E)-2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]ethenyl] prop-2-enoate
PubChem CID146513220
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name[(E)-2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]ethenyl] prop-2-enoate
SMILESC=CC(=O)O/C=C/NC(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C15H24N2O5/c1-6-12(18)21-8-7-16-13(19)22-11-9-14(2,3)17(20)15(4,5)10-11/h6-8,11,20H,1,9-10H2,2-5H3,(H,16,19)/b8-7+
InChIKeyGABIFAKQPMASBR-BQYQJAHWSA-N
XLogP2.32
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]ethenyl] prop-2-enoate?
The IUPAC name of [(E)-2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]ethenyl] prop-2-enoate (CID 146513220) is [(E)-2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]ethenyl] prop-2-enoate.
What is the SMILES notation for [(E)-2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]ethenyl] prop-2-enoate?
The canonical SMILES for [(E)-2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]ethenyl] prop-2-enoate is C=CC(=O)O/C=C/NC(=O)OC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of [(E)-2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]ethenyl] prop-2-enoate?
The InChIKey is GABIFAKQPMASBR-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-6-12(18)21-8-7-16-13(19)22-11-9-14(2,3)17(20)15(4,5)10-11/h6-8,11,20H,1,9-10H2,2-5H3,(H,16,19)/b8-7+.
What are the key properties of [(E)-2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]ethenyl] prop-2-enoate?
[(E)-2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]ethenyl] prop-2-enoate has a molecular weight of 312.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]ethenyl] prop-2-enoate is sourced from PubChem (CID 146513220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).