tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methylazetidin-3-yl)pyrrolidine-1-carboxylate

C19H38N2O3Si — CID 18657871

IUPACtert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methylazetidin-3-yl)pyrrolidine-1-carboxylate
SMILESCN1CC([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H38N2O3Si/c1-18(2,3)23-17(22)21-13-15(24-25(8,9)19(4,5)6)10-16(21)14-11-20(7)12-14/h14-16H,10-13H2,1-9H3/t15-,16+/m1/s1
InChIKeyHMBPGQQVYQAPDY-CVEARBPZSA-N
MW370.61 g/mol
LogP3.95
Rot. Bonds3

About tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methylazetidin-3-yl)pyrrolidine-1-carboxylate

tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methylazetidin-3-yl)pyrrolidine-1-carboxylate (PubChem CID 18657871) has the molecular formula C19H38N2O3Si and a molecular weight of 370.61 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methylazetidin-3-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methylazetidin-3-yl)pyrrolidine-1-carboxylate
PubChem CID18657871
Molecular FormulaC19H38N2O3Si
Molecular Weight370.61 g/mol
Exact Mass370.27
IUPAC Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methylazetidin-3-yl)pyrrolidine-1-carboxylate
SMILESCN1CC([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H38N2O3Si/c1-18(2,3)23-17(22)21-13-15(24-25(8,9)19(4,5)6)10-16(21)14-11-20(7)12-14/h14-16H,10-13H2,1-9H3/t15-,16+/m1/s1
InChIKeyHMBPGQQVYQAPDY-CVEARBPZSA-N
XLogP3.95
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methylazetidin-3-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methylazetidin-3-yl)pyrrolidine-1-carboxylate (CID 18657871) is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methylazetidin-3-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methylazetidin-3-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methylazetidin-3-yl)pyrrolidine-1-carboxylate is CN1CC([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methylazetidin-3-yl)pyrrolidine-1-carboxylate?
The InChIKey is HMBPGQQVYQAPDY-CVEARBPZSA-N. The full InChI is InChI=1S/C19H38N2O3Si/c1-18(2,3)23-17(22)21-13-15(24-25(8,9)19(4,5)6)10-16(21)14-11-20(7)12-14/h14-16H,10-13H2,1-9H3/t15-,16+/m1/s1.
What are the key properties of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methylazetidin-3-yl)pyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methylazetidin-3-yl)pyrrolidine-1-carboxylate has a molecular weight of 370.61 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methylazetidin-3-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 18657871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).