tert-butyl (2S)-2-tributylstannylpyrrolidine-1-carboxylate

C21H43NO2Sn — CID 10972577

IUPACtert-butyl (2S)-2-tributylstannylpyrrolidine-1-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)[C@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C9H16NO2.3C4H9.Sn/c1-9(2,3)12-8(11)10-6-4-5-7-10;3*1-3-4-2;/h6H,4-5,7H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyPZUXJSXENZTXMP-UHFFFAOYSA-N
MW460.29 g/mol
LogP6.77
Rot. Bonds10

About tert-butyl (2S)-2-tributylstannylpyrrolidine-1-carboxylate

tert-butyl (2S)-2-tributylstannylpyrrolidine-1-carboxylate (PubChem CID 10972577) has the molecular formula C21H43NO2Sn and a molecular weight of 460.29 g/mol. Its IUPAC name is tert-butyl (2S)-2-tributylstannylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-tributylstannylpyrrolidine-1-carboxylate
PubChem CID10972577
Molecular FormulaC21H43NO2Sn
Molecular Weight460.29 g/mol
Exact Mass461.23
IUPAC Nametert-butyl (2S)-2-tributylstannylpyrrolidine-1-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)[C@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C9H16NO2.3C4H9.Sn/c1-9(2,3)12-8(11)10-6-4-5-7-10;3*1-3-4-2;/h6H,4-5,7H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyPZUXJSXENZTXMP-UHFFFAOYSA-N
XLogP6.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.29
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl (2S)-2-tributylstannylpyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2S)-2-(2-tributylstannylethenyl)pyrrolidine-1-carboxylate
CID 154077880
tert-butyl 2-butoxypyrrolidine-1-carboxylate
CID 90863874
butane;ethane;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 145080394
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl (2S)-2-(methylamino)pyrrolidine-1-carboxylate
CID 68972263
tert-butyl 2-[butyl(methyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110415924
1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;propane
CID 144591642
tert-butyl 2-ethoxypyrrolidine-1-carboxylate
CID 11171930
1-O-tert-butyl 2-O-hex-1-en-2-yl pyrrolidine-1,2-dicarboxylate
CID 73010431
tert-butyl (2S)-2-pyrrolidin-1-ylpyrrolidine-1-carboxylate
CID 142630870
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-tributylstannylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-tributylstannylpyrrolidine-1-carboxylate (CID 10972577) is tert-butyl (2S)-2-tributylstannylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-tributylstannylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-tributylstannylpyrrolidine-1-carboxylate is CCCC[Sn](CCCC)(CCCC)[C@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-tributylstannylpyrrolidine-1-carboxylate?
The InChIKey is PZUXJSXENZTXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NO2.3C4H9.Sn/c1-9(2,3)12-8(11)10-6-4-5-7-10;3*1-3-4-2;/h6H,4-5,7H2,1-3H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl (2S)-2-tributylstannylpyrrolidine-1-carboxylate?
tert-butyl (2S)-2-tributylstannylpyrrolidine-1-carboxylate has a molecular weight of 460.29 g/mol, XLogP of 6.77, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-tributylstannylpyrrolidine-1-carboxylate is sourced from PubChem (CID 10972577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).