tert-butyl 3-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-3-hydroxyazetidine-1-carboxylate

C15H24N2O4 — CID 168683863

IUPACtert-butyl 3-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-3-hydroxyazetidine-1-carboxylate
SMILESC=CC1CC(=O)N(CC2(O)CN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C15H24N2O4/c1-5-11-6-12(18)16(7-11)8-15(20)9-17(10-15)13(19)21-14(2,3)4/h5,11,20H,1,6-10H2,2-4H3
InChIKeyBNCZGZOGLQQSKD-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.00
Rot. Bonds3

About tert-butyl 3-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-3-hydroxyazetidine-1-carboxylate

tert-butyl 3-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-3-hydroxyazetidine-1-carboxylate (PubChem CID 168683863) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl 3-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-3-hydroxyazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-3-hydroxyazetidine-1-carboxylate
PubChem CID168683863
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nametert-butyl 3-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-3-hydroxyazetidine-1-carboxylate
SMILESC=CC1CC(=O)N(CC2(O)CN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C15H24N2O4/c1-5-11-6-12(18)16(7-11)8-15(20)9-17(10-15)13(19)21-14(2,3)4/h5,11,20H,1,6-10H2,2-4H3
InChIKeyBNCZGZOGLQQSKD-UHFFFAOYSA-N
XLogP1.00
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-4-hydroxypiperidine-1-carboxylate
CID 168683869
methyl 1-[[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]-5-oxopyrrolidine-3-carboxylate
CID 168692882
tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)azetidine-1-carboxylate
CID 168683864
tert-butyl 4-[(4-chloro-2-oxopyrrolidin-1-yl)methyl]-4-hydroxypiperidine-1-carboxylate
CID 168687195
tert-butyl 4-hydroxy-4-[(4-hydroxy-2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxylate
CID 168701776
tert-butyl 6-oxo-7-prop-2-enyl-2-azaspiro[3.4]octane-2-carboxylate
CID 146276977
tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168683488
3-O-tert-butyl 7-O-prop-2-enyl 9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylate
CID 23569422
tert-butyl 3-but-3-enyl-3-hydroxypiperidine-1-carboxylate
CID 71762891
tert-butyl 3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylate
CID 20780852
tert-butyl 6-formyl-2-azaspiro[3.3]heptane-2-carboxylate
CID 146470104
tert-butyl 3,5-dioxo-4,4-bis(prop-2-enyl)piperidine-1-carboxylate
CID 171548647

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-3-hydroxyazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-3-hydroxyazetidine-1-carboxylate (CID 168683863) is tert-butyl 3-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-3-hydroxyazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-3-hydroxyazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-3-hydroxyazetidine-1-carboxylate is C=CC1CC(=O)N(CC2(O)CN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 3-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-3-hydroxyazetidine-1-carboxylate?
The InChIKey is BNCZGZOGLQQSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-5-11-6-12(18)16(7-11)8-15(20)9-17(10-15)13(19)21-14(2,3)4/h5,11,20H,1,6-10H2,2-4H3.
What are the key properties of tert-butyl 3-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-3-hydroxyazetidine-1-carboxylate?
tert-butyl 3-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-3-hydroxyazetidine-1-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-3-hydroxyazetidine-1-carboxylate is sourced from PubChem (CID 168683863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).