tert-butyl 3-[2-oxo-4-(prop-2-enoylamino)pyrrolidin-1-yl]azetidine-1-carboxylate

C15H23N3O4 — CID 146077378

IUPACtert-butyl 3-[2-oxo-4-(prop-2-enoylamino)pyrrolidin-1-yl]azetidine-1-carboxylate
SMILESC=CC(=O)NC1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C15H23N3O4/c1-5-12(19)16-10-6-13(20)18(7-10)11-8-17(9-11)14(21)22-15(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,16,19)
InChIKeyNQOQNTAIUNXEGS-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.51
Rot. Bonds3

About tert-butyl 3-[2-oxo-4-(prop-2-enoylamino)pyrrolidin-1-yl]azetidine-1-carboxylate

tert-butyl 3-[2-oxo-4-(prop-2-enoylamino)pyrrolidin-1-yl]azetidine-1-carboxylate (PubChem CID 146077378) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is tert-butyl 3-[2-oxo-4-(prop-2-enoylamino)pyrrolidin-1-yl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-oxo-4-(prop-2-enoylamino)pyrrolidin-1-yl]azetidine-1-carboxylate
PubChem CID146077378
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Nametert-butyl 3-[2-oxo-4-(prop-2-enoylamino)pyrrolidin-1-yl]azetidine-1-carboxylate
SMILESC=CC(=O)NC1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C15H23N3O4/c1-5-12(19)16-10-6-13(20)18(7-10)11-8-17(9-11)14(21)22-15(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,16,19)
InChIKeyNQOQNTAIUNXEGS-UHFFFAOYSA-N
XLogP0.51
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)azetidine-1-carboxylate
CID 168683864
tert-butyl 3-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)azetidine-1-carboxylate
CID 168711018
tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168683488
tert-butyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]azetidine-1-carboxylate
CID 168675053
tert-butyl N-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]carbamate
CID 146560939
tert-butyl 3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]azetidine-1-carboxylate
CID 168655818
tert-butyl (3R)-3-(4-chloro-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 168686809
1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690127
tert-butyl (3aR,6aS)-5-acetamido-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 58147613
tert-butyl 3-(4-amino-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168698716
(3R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 42544015
tert-butyl (3R)-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]pyrrolidine-1-carboxylate
CID 168506489

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-oxo-4-(prop-2-enoylamino)pyrrolidin-1-yl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-oxo-4-(prop-2-enoylamino)pyrrolidin-1-yl]azetidine-1-carboxylate (CID 146077378) is tert-butyl 3-[2-oxo-4-(prop-2-enoylamino)pyrrolidin-1-yl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-oxo-4-(prop-2-enoylamino)pyrrolidin-1-yl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-oxo-4-(prop-2-enoylamino)pyrrolidin-1-yl]azetidine-1-carboxylate is C=CC(=O)NC1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 3-[2-oxo-4-(prop-2-enoylamino)pyrrolidin-1-yl]azetidine-1-carboxylate?
The InChIKey is NQOQNTAIUNXEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-5-12(19)16-10-6-13(20)18(7-10)11-8-17(9-11)14(21)22-15(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,16,19).
What are the key properties of tert-butyl 3-[2-oxo-4-(prop-2-enoylamino)pyrrolidin-1-yl]azetidine-1-carboxylate?
tert-butyl 3-[2-oxo-4-(prop-2-enoylamino)pyrrolidin-1-yl]azetidine-1-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-oxo-4-(prop-2-enoylamino)pyrrolidin-1-yl]azetidine-1-carboxylate is sourced from PubChem (CID 146077378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).