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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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).