tert-butyl 2-[4-(2,2-dimethylpropylamino)oxan-3-yl]pyrrolidine-1-carboxylate

C19H36N2O3 — CID 126813716

IUPACtert-butyl 2-[4-(2,2-dimethylpropylamino)oxan-3-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)CNC1CCOCC1C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H36N2O3/c1-18(2,3)13-20-15-9-11-23-12-14(15)16-8-7-10-21(16)17(22)24-19(4,5)6/h14-16,20H,7-13H2,1-6H3
InChIKeyLIZFXMUQGVVXBV-UHFFFAOYSA-N
MW340.51 g/mol
LogP3.43
Rot. Bonds3

About tert-butyl 2-[4-(2,2-dimethylpropylamino)oxan-3-yl]pyrrolidine-1-carboxylate

tert-butyl 2-[4-(2,2-dimethylpropylamino)oxan-3-yl]pyrrolidine-1-carboxylate (PubChem CID 126813716) has the molecular formula C19H36N2O3 and a molecular weight of 340.51 g/mol. Its IUPAC name is tert-butyl 2-[4-(2,2-dimethylpropylamino)oxan-3-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[4-(2,2-dimethylpropylamino)oxan-3-yl]pyrrolidine-1-carboxylate
PubChem CID126813716
Molecular FormulaC19H36N2O3
Molecular Weight340.51 g/mol
Exact Mass340.27
IUPAC Nametert-butyl 2-[4-(2,2-dimethylpropylamino)oxan-3-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)CNC1CCOCC1C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H36N2O3/c1-18(2,3)13-20-15-9-11-23-12-14(15)16-8-7-10-21(16)17(22)24-19(4,5)6/h14-16,20H,7-13H2,1-6H3
InChIKeyLIZFXMUQGVVXBV-UHFFFAOYSA-N
XLogP3.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl 2-[2-(2-methylprop-2-enylamino)cyclohexyl]pyrrolidine-1-carboxylate
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tert-butyl 2-[2-(2,2,2-trifluoroethoxyamino)cyclopentyl]pyrrolidine-1-carboxylate
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tert-butyl 2-[[(2-methyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(2,2-dimethylpropylamino)oxan-3-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[4-(2,2-dimethylpropylamino)oxan-3-yl]pyrrolidine-1-carboxylate (CID 126813716) is tert-butyl 2-[4-(2,2-dimethylpropylamino)oxan-3-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[4-(2,2-dimethylpropylamino)oxan-3-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[4-(2,2-dimethylpropylamino)oxan-3-yl]pyrrolidine-1-carboxylate is CC(C)(C)CNC1CCOCC1C1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[4-(2,2-dimethylpropylamino)oxan-3-yl]pyrrolidine-1-carboxylate?
The InChIKey is LIZFXMUQGVVXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O3/c1-18(2,3)13-20-15-9-11-23-12-14(15)16-8-7-10-21(16)17(22)24-19(4,5)6/h14-16,20H,7-13H2,1-6H3.
What are the key properties of tert-butyl 2-[4-(2,2-dimethylpropylamino)oxan-3-yl]pyrrolidine-1-carboxylate?
tert-butyl 2-[4-(2,2-dimethylpropylamino)oxan-3-yl]pyrrolidine-1-carboxylate has a molecular weight of 340.51 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(2,2-dimethylpropylamino)oxan-3-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 126813716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).