tert-butyl 3-(2,6-dimethylmorpholin-4-yl)pyrrolidine-1-carboxylate

C15H28N2O3 — CID 123619361

IUPACtert-butyl 3-(2,6-dimethylmorpholin-4-yl)pyrrolidine-1-carboxylate
SMILESCC1CN(C2CCN(C(=O)OC(C)(C)C)C2)CC(C)O1
InChIInChI=1S/C15H28N2O3/c1-11-8-17(9-12(2)19-11)13-6-7-16(10-13)14(18)20-15(3,4)5/h11-13H,6-10H2,1-5H3
InChIKeyHQMZPUWXYGVMKQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.11
Rot. Bonds1

About tert-butyl 3-(2,6-dimethylmorpholin-4-yl)pyrrolidine-1-carboxylate

tert-butyl 3-(2,6-dimethylmorpholin-4-yl)pyrrolidine-1-carboxylate (PubChem CID 123619361) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl 3-(2,6-dimethylmorpholin-4-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2,6-dimethylmorpholin-4-yl)pyrrolidine-1-carboxylate
PubChem CID123619361
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl 3-(2,6-dimethylmorpholin-4-yl)pyrrolidine-1-carboxylate
SMILESCC1CN(C2CCN(C(=O)OC(C)(C)C)C2)CC(C)O1
InChIInChI=1S/C15H28N2O3/c1-11-8-17(9-12(2)19-11)13-6-7-16(10-13)14(18)20-15(3,4)5/h11-13H,6-10H2,1-5H3
InChIKeyHQMZPUWXYGVMKQ-UHFFFAOYSA-N
XLogP2.11
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-(2,6-dimethylmorpholin-4-yl)pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]azetidine-3-carboxylic acid
CID 44828647
tert-butyl 3-(3-aminoazetidin-1-yl)pyrrolidine-1-carboxylate
CID 45072283
tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate
CID 53216205
tert-butyl 3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate
CID 76644324
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 18545171
tert-butyl 4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]piperidine-1-carboxylate
CID 146498263
tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 118535016
tert-butyl (3S)-3-(3-aminoazetidin-1-yl)piperidine-1-carboxylate
CID 86317604
tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
CID 67086934
tert-butyl 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
CID 63788851
tert-butyl (3R)-3-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrrolidine-1-carboxylate
CID 129463098

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2,6-dimethylmorpholin-4-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2,6-dimethylmorpholin-4-yl)pyrrolidine-1-carboxylate (CID 123619361) is tert-butyl 3-(2,6-dimethylmorpholin-4-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2,6-dimethylmorpholin-4-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2,6-dimethylmorpholin-4-yl)pyrrolidine-1-carboxylate is CC1CN(C2CCN(C(=O)OC(C)(C)C)C2)CC(C)O1.
What is the InChIKey of tert-butyl 3-(2,6-dimethylmorpholin-4-yl)pyrrolidine-1-carboxylate?
The InChIKey is HQMZPUWXYGVMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11-8-17(9-12(2)19-11)13-6-7-16(10-13)14(18)20-15(3,4)5/h11-13H,6-10H2,1-5H3.
What are the key properties of tert-butyl 3-(2,6-dimethylmorpholin-4-yl)pyrrolidine-1-carboxylate?
tert-butyl 3-(2,6-dimethylmorpholin-4-yl)pyrrolidine-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2,6-dimethylmorpholin-4-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 123619361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).