tert-butyl 3-[3-(dimethylamino)phenoxy]pyrrolidine-1-carboxylate

C17H26N2O3 — CID 24902561

IUPACtert-butyl 3-[3-(dimethylamino)phenoxy]pyrrolidine-1-carboxylate
SMILESCN(C)c1cccc(OC2CCN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-10-9-15(12-19)21-14-8-6-7-13(11-14)18(4)5/h6-8,11,15H,9-10,12H2,1-5H3
InChIKeyGEZQIJOZSVGDFS-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.14
Rot. Bonds3

About tert-butyl 3-[3-(dimethylamino)phenoxy]pyrrolidine-1-carboxylate

tert-butyl 3-[3-(dimethylamino)phenoxy]pyrrolidine-1-carboxylate (PubChem CID 24902561) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl 3-[3-(dimethylamino)phenoxy]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[3-(dimethylamino)phenoxy]pyrrolidine-1-carboxylate
PubChem CID24902561
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl 3-[3-(dimethylamino)phenoxy]pyrrolidine-1-carboxylate
SMILESCN(C)c1cccc(OC2CCN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-10-9-15(12-19)21-14-8-6-7-13(11-14)18(4)5/h6-8,11,15H,9-10,12H2,1-5H3
InChIKeyGEZQIJOZSVGDFS-UHFFFAOYSA-N
XLogP3.14
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[3-(dimethylamino)phenoxy]piperidine-1-carboxylate
CID 24902463
tert-butyl 3-[3-(dimethylcarbamoyl)phenoxy]pyrrolidine-1-carboxylate
CID 176877608
tert-butyl 3-(3-iodophenoxy)piperidine-1-carboxylate
CID 67203985
tert-butyl (3S)-3-(4-formylphenoxy)pyrrolidine-1-carboxylate
CID 11779039
tert-butyl (3S)-3-(4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate
CID 58893828
tert-butyl 3-[(6-chloro-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 86696181
tert-butyl 4-[3-[(1R)-1-hydroxyethyl]phenoxy]piperidine-1-carboxylate
CID 124636293
tert-butyl (3S)-3-[[2-(hydroxymethyl)-4-pyridinyl]oxy]pyrrolidine-1-carboxylate
CID 166114212
tert-butyl 3-[4-amino-3-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylate
CID 166611413
tert-butyl 3-(3-isocyanatophenoxy)piperidine-1-carboxylate
CID 169354657
tert-butyl 4-[3-(2-hydroxyethyl)phenoxy]piperidine-1-carboxylate
CID 129294526
tert-butyl 3-(4-sulfamoylphenoxy)pyrrolidine-1-carboxylate
CID 167488707

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[3-(dimethylamino)phenoxy]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[3-(dimethylamino)phenoxy]pyrrolidine-1-carboxylate (CID 24902561) is tert-butyl 3-[3-(dimethylamino)phenoxy]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[3-(dimethylamino)phenoxy]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[3-(dimethylamino)phenoxy]pyrrolidine-1-carboxylate is CN(C)c1cccc(OC2CCN(C(=O)OC(C)(C)C)C2)c1.
What is the InChIKey of tert-butyl 3-[3-(dimethylamino)phenoxy]pyrrolidine-1-carboxylate?
The InChIKey is GEZQIJOZSVGDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-10-9-15(12-19)21-14-8-6-7-13(11-14)18(4)5/h6-8,11,15H,9-10,12H2,1-5H3.
What are the key properties of tert-butyl 3-[3-(dimethylamino)phenoxy]pyrrolidine-1-carboxylate?
tert-butyl 3-[3-(dimethylamino)phenoxy]pyrrolidine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[3-(dimethylamino)phenoxy]pyrrolidine-1-carboxylate is sourced from PubChem (CID 24902561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).