tert-butyl (2S)-2-(3-trimethylsilylprop-2-ynoyl)pyrrolidine-1-carboxylate

C15H25NO3Si — CID 59650712

IUPACtert-butyl (2S)-2-(3-trimethylsilylprop-2-ynoyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(=O)C#C[Si](C)(C)C
InChIInChI=1S/C15H25NO3Si/c1-15(2,3)19-14(18)16-10-7-8-12(16)13(17)9-11-20(4,5)6/h12H,7-8,10H2,1-6H3/t12-/m0/s1
InChIKeyYBWXRZBMAVUXAE-LBPRGKRZSA-N
MW295.45 g/mol
LogP2.84
Rot. Bonds1

About tert-butyl (2S)-2-(3-trimethylsilylprop-2-ynoyl)pyrrolidine-1-carboxylate

tert-butyl (2S)-2-(3-trimethylsilylprop-2-ynoyl)pyrrolidine-1-carboxylate (PubChem CID 59650712) has the molecular formula C15H25NO3Si and a molecular weight of 295.45 g/mol. Its IUPAC name is tert-butyl (2S)-2-(3-trimethylsilylprop-2-ynoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(3-trimethylsilylprop-2-ynoyl)pyrrolidine-1-carboxylate
PubChem CID59650712
Molecular FormulaC15H25NO3Si
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Nametert-butyl (2S)-2-(3-trimethylsilylprop-2-ynoyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(=O)C#C[Si](C)(C)C
InChIInChI=1S/C15H25NO3Si/c1-15(2,3)19-14(18)16-10-7-8-12(16)13(17)9-11-20(4,5)6/h12H,7-8,10H2,1-6H3/t12-/m0/s1
InChIKeyYBWXRZBMAVUXAE-LBPRGKRZSA-N
XLogP2.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-carbonocyanidoylpyrrolidine-1-carboxylate
CID 130156507
tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate
CID 15309799
1-O-tert-butyl 2-O-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl] pyrrolidine-1,2-dicarboxylate
CID 14237873
tert-butyl (2S)-2-carbonofluoridoylpyrrolidine-1-carboxylate
CID 10878587
1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane
CID 143353751
1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;propane
CID 144591642
tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate
CID 14471857
2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]prop-2-enoic acid
CID 165389383
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 688617
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10537428
tert-butyl 2-(4-trimethylsilylbut-3-ynyl)piperidine-1-carboxylate
CID 11130679
butane;ethane;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 145080394

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(3-trimethylsilylprop-2-ynoyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(3-trimethylsilylprop-2-ynoyl)pyrrolidine-1-carboxylate (CID 59650712) is tert-butyl (2S)-2-(3-trimethylsilylprop-2-ynoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(3-trimethylsilylprop-2-ynoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(3-trimethylsilylprop-2-ynoyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)C#C[Si](C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-(3-trimethylsilylprop-2-ynoyl)pyrrolidine-1-carboxylate?
The InChIKey is YBWXRZBMAVUXAE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25NO3Si/c1-15(2,3)19-14(18)16-10-7-8-12(16)13(17)9-11-20(4,5)6/h12H,7-8,10H2,1-6H3/t12-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(3-trimethylsilylprop-2-ynoyl)pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-(3-trimethylsilylprop-2-ynoyl)pyrrolidine-1-carboxylate has a molecular weight of 295.45 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(3-trimethylsilylprop-2-ynoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 59650712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).