1-tert-butyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C17H29N3O3 — CID 128645425

IUPAC1-tert-butyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)NCCN2CC3CCC(C2)O3)CC1=O
InChIInChI=1S/C17H29N3O3/c1-17(2,3)20-9-12(8-15(20)21)16(22)18-6-7-19-10-13-4-5-14(11-19)23-13/h12-14H,4-11H2,1-3H3,(H,18,22)
InChIKeyNAVPUHPIBTXRAN-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.61
Rot. Bonds4

About 1-tert-butyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-tert-butyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 128645425) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-tert-butyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID128645425
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name1-tert-butyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)NCCN2CC3CCC(C2)O3)CC1=O
InChIInChI=1S/C17H29N3O3/c1-17(2,3)20-9-12(8-15(20)21)16(22)18-6-7-19-10-13-4-5-14(11-19)23-13/h12-14H,4-11H2,1-3H3,(H,18,22)
InChIKeyNAVPUHPIBTXRAN-UHFFFAOYSA-N
XLogP0.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18885871
1-tert-butyl-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70732801
1-tert-butyl-N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108538746
1-tert-butyl-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108572293
butyl N-[2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]ethyl]carbamate
CID 108572325
1-tert-butyl-N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108538210
1-tert-butyl-5-oxo-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 108572335
1-tert-butyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70787550
(3R)-1-tert-butyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97139756
1-tert-butyl-N-[2-(4-fluorophenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide
CID 46978089
1-tert-butyl-N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108540987
1-tert-butyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70716589

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 128645425) is 1-tert-butyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is CC(C)(C)N1CC(C(=O)NCCN2CC3CCC(C2)O3)CC1=O.
What is the InChIKey of 1-tert-butyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NAVPUHPIBTXRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-17(2,3)20-9-12(8-15(20)21)16(22)18-6-7-19-10-13-4-5-14(11-19)23-13/h12-14H,4-11H2,1-3H3,(H,18,22).
What are the key properties of 1-tert-butyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-tert-butyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 128645425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).