azetidin-3-ylmethyl (3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carboxylate

C13H24N2O2 — CID 118444576

IUPACazetidin-3-ylmethyl (3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carboxylate
SMILESCC(C)[C@@]1(C)CCN(C(=O)OCC2CNC2)C1
InChIInChI=1S/C13H24N2O2/c1-10(2)13(3)4-5-15(9-13)12(16)17-8-11-6-14-7-11/h10-11,14H,4-9H2,1-3H3/t13-/m0/s1
InChIKeyLJXCYLGYMMJOLY-ZDUSSCGKSA-N
MW240.35 g/mol
LogP1.71
Rot. Bonds3

About azetidin-3-ylmethyl (3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carboxylate

azetidin-3-ylmethyl (3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carboxylate (PubChem CID 118444576) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is azetidin-3-ylmethyl (3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameazetidin-3-ylmethyl (3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carboxylate
PubChem CID118444576
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nameazetidin-3-ylmethyl (3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carboxylate
SMILESCC(C)[C@@]1(C)CCN(C(=O)OCC2CNC2)C1
InChIInChI=1S/C13H24N2O2/c1-10(2)13(3)4-5-15(9-13)12(16)17-8-11-6-14-7-11/h10-11,14H,4-9H2,1-3H3/t13-/m0/s1
InChIKeyLJXCYLGYMMJOLY-ZDUSSCGKSA-N
XLogP1.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 118444436
(2R)-2-amino-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 118444601
(2R)-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 118444442
(3-fluoroazetidin-3-yl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 118444517
tert-butyl (2S)-2-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate
CID 118444524
(3-hydroxyazetidin-1-yl)-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 118444533
ethyl 2,2-dimethyl-3-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-3-oxopropanoate
CID 118444498
(2R)-2-hydroxy-3-methyl-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 118444443
azetidin-3-ylmethyl acetate
CID 66592470
azetidin-3-yl 3,3-dimethylpyrrolidine-1-carboxylate
CID 118447065
[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 118444545
tert-butyl 3-fluoro-3-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate
CID 118444608

Frequently Asked Questions

What is the IUPAC name of azetidin-3-ylmethyl (3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carboxylate?
The IUPAC name of azetidin-3-ylmethyl (3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carboxylate (CID 118444576) is azetidin-3-ylmethyl (3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for azetidin-3-ylmethyl (3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carboxylate?
The canonical SMILES for azetidin-3-ylmethyl (3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carboxylate is CC(C)[C@@]1(C)CCN(C(=O)OCC2CNC2)C1.
What is the InChIKey of azetidin-3-ylmethyl (3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carboxylate?
The InChIKey is LJXCYLGYMMJOLY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)13(3)4-5-15(9-13)12(16)17-8-11-6-14-7-11/h10-11,14H,4-9H2,1-3H3/t13-/m0/s1.
What are the key properties of azetidin-3-ylmethyl (3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carboxylate?
azetidin-3-ylmethyl (3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-ylmethyl (3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 118444576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).