tert-butyl 3-(3-hydroxyazetidin-1-yl)pyrrolidine-1-carboxylate

C12H22N2O3 — CID 83843354

IUPACtert-butyl 3-(3-hydroxyazetidin-1-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CC(O)C2)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)13-5-4-9(6-13)14-7-10(15)8-14/h9-10,15H,4-8H2,1-3H3
InChIKeyLCZVDGLHZPTQER-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.67
Rot. Bonds1

About tert-butyl 3-(3-hydroxyazetidin-1-yl)pyrrolidine-1-carboxylate

tert-butyl 3-(3-hydroxyazetidin-1-yl)pyrrolidine-1-carboxylate (PubChem CID 83843354) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl 3-(3-hydroxyazetidin-1-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3-hydroxyazetidin-1-yl)pyrrolidine-1-carboxylate
PubChem CID83843354
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl 3-(3-hydroxyazetidin-1-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CC(O)C2)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)13-5-4-9(6-13)14-7-10(15)8-14/h9-10,15H,4-8H2,1-3H3
InChIKeyLCZVDGLHZPTQER-UHFFFAOYSA-N
XLogP0.67
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-3-Amino-1-Boc-4-hydroxypyrrolidine
CID 11275699
1,1-Dimethylethyl (3S,4R)-3-amino-4-hydroxy-1-pyrrolidinecarboxylate
CID 10798157
trans-3-Azido-1-Boc-4-hydroxypyrrolidine
CID 11128048
Cis-3-Amino-4-Hydroxypyrrolidine-1-Carboxylic Acid Tert-Butyl Ester
CID 50986390
tert-Butyl (3R,4R)-3-(Dimethylamino)-4-hydroxypyrrolidine-1-carboxylate
CID 58006925
(3S,4S)-3-(Dimethylamino)-4-hydroxy-1-pyrrolidinecarboxylic acid 1,1-dimethylethyl ester
CID 66674043
tert-butyl N-(2-hydroxyethyl)-N-(pyrrolidin-3-yl)carbamate
CID 67232756
tert-Butyl (1-(2-hydroxyethyl)azetidin-3-yl)(methyl)carbamate
CID 118996731
Tert-butyl 3-hydroxy-2-methylazetidine-1-carboxylate
CID 91663889
ethyl (3R,4S)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate
CID 166437434
Tert-butyl 3-[propyl(3,3,3-trifluoro-2-hydroxypropyl)amino]azetidine-1-carboxylate
CID 126846188
Tert-butyl 3-[ethyl(3,3,3-trifluoro-2-hydroxypropyl)amino]azetidine-1-carboxylate
CID 126846190

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-hydroxyazetidin-1-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(3-hydroxyazetidin-1-yl)pyrrolidine-1-carboxylate (CID 83843354) is tert-butyl 3-(3-hydroxyazetidin-1-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(3-hydroxyazetidin-1-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(3-hydroxyazetidin-1-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2CC(O)C2)C1.
What is the InChIKey of tert-butyl 3-(3-hydroxyazetidin-1-yl)pyrrolidine-1-carboxylate?
The InChIKey is LCZVDGLHZPTQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)13-5-4-9(6-13)14-7-10(15)8-14/h9-10,15H,4-8H2,1-3H3.
What are the key properties of tert-butyl 3-(3-hydroxyazetidin-1-yl)pyrrolidine-1-carboxylate?
tert-butyl 3-(3-hydroxyazetidin-1-yl)pyrrolidine-1-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-hydroxyazetidin-1-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 83843354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).