methyl (E)-3-[(4R)-1,3-ditert-butyl-2-oxoimidazolidin-4-yl]prop-2-enoate

C15H26N2O3 — CID 139039111

IUPACmethyl (E)-3-[(4R)-1,3-ditert-butyl-2-oxoimidazolidin-4-yl]prop-2-enoate
SMILESCOC(=O)/C=C/[C@@H]1CN(C(C)(C)C)C(=O)N1C(C)(C)C
InChIInChI=1S/C15H26N2O3/c1-14(2,3)16-10-11(8-9-12(18)20-7)17(13(16)19)15(4,5)6/h8-9,11H,10H2,1-7H3/b9-8+/t11-/m1/s1
InChIKeyWIWWGCBJULONLG-ANYFNZRUSA-N
MW282.38 g/mol
LogP2.42
Rot. Bonds2

About methyl (E)-3-[(4R)-1,3-ditert-butyl-2-oxoimidazolidin-4-yl]prop-2-enoate

methyl (E)-3-[(4R)-1,3-ditert-butyl-2-oxoimidazolidin-4-yl]prop-2-enoate (PubChem CID 139039111) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl (E)-3-[(4R)-1,3-ditert-butyl-2-oxoimidazolidin-4-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[(4R)-1,3-ditert-butyl-2-oxoimidazolidin-4-yl]prop-2-enoate
PubChem CID139039111
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namemethyl (E)-3-[(4R)-1,3-ditert-butyl-2-oxoimidazolidin-4-yl]prop-2-enoate
SMILESCOC(=O)/C=C/[C@@H]1CN(C(C)(C)C)C(=O)N1C(C)(C)C
InChIInChI=1S/C15H26N2O3/c1-14(2,3)16-10-11(8-9-12(18)20-7)17(13(16)19)15(4,5)6/h8-9,11H,10H2,1-7H3/b9-8+/t11-/m1/s1
InChIKeyWIWWGCBJULONLG-ANYFNZRUSA-N
XLogP2.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[(4R)-1,3-ditert-butyl-2-oxoimidazolidin-4-yl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[(4R)-1,3-ditert-butyl-2-oxoimidazolidin-4-yl]prop-2-enoate (CID 139039111) is methyl (E)-3-[(4R)-1,3-ditert-butyl-2-oxoimidazolidin-4-yl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[(4R)-1,3-ditert-butyl-2-oxoimidazolidin-4-yl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[(4R)-1,3-ditert-butyl-2-oxoimidazolidin-4-yl]prop-2-enoate is COC(=O)/C=C/[C@@H]1CN(C(C)(C)C)C(=O)N1C(C)(C)C.
What is the InChIKey of methyl (E)-3-[(4R)-1,3-ditert-butyl-2-oxoimidazolidin-4-yl]prop-2-enoate?
The InChIKey is WIWWGCBJULONLG-ANYFNZRUSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-14(2,3)16-10-11(8-9-12(18)20-7)17(13(16)19)15(4,5)6/h8-9,11H,10H2,1-7H3/b9-8+/t11-/m1/s1.
What are the key properties of methyl (E)-3-[(4R)-1,3-ditert-butyl-2-oxoimidazolidin-4-yl]prop-2-enoate?
methyl (E)-3-[(4R)-1,3-ditert-butyl-2-oxoimidazolidin-4-yl]prop-2-enoate has a molecular weight of 282.38 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[(4R)-1,3-ditert-butyl-2-oxoimidazolidin-4-yl]prop-2-enoate is sourced from PubChem (CID 139039111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).