tert-butyl (3R)-3-[[4-(2-trimethylsilylethynyl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate

C19H28N2O3Si — CID 175987200

IUPACtert-butyl (3R)-3-[[4-(2-trimethylsilylethynyl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](Oc2cnccc2C#C[Si](C)(C)C)C1
InChIInChI=1S/C19H28N2O3Si/c1-19(2,3)24-18(22)21-11-8-16(14-21)23-17-13-20-10-7-15(17)9-12-25(4,5)6/h7,10,13,16H,8,11,14H2,1-6H3/t16-/m1/s1
InChIKeyPCQQOJFQRLPXHW-MRXNPFEDSA-N
MW360.53 g/mol
LogP3.70
Rot. Bonds2

About tert-butyl (3R)-3-[[4-(2-trimethylsilylethynyl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[[4-(2-trimethylsilylethynyl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate (PubChem CID 175987200) has the molecular formula C19H28N2O3Si and a molecular weight of 360.53 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[4-(2-trimethylsilylethynyl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[4-(2-trimethylsilylethynyl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate
PubChem CID175987200
Molecular FormulaC19H28N2O3Si
Molecular Weight360.53 g/mol
Exact Mass360.19
IUPAC Nametert-butyl (3R)-3-[[4-(2-trimethylsilylethynyl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](Oc2cnccc2C#C[Si](C)(C)C)C1
InChIInChI=1S/C19H28N2O3Si/c1-19(2,3)24-18(22)21-11-8-16(14-21)23-17-13-20-10-7-15(17)9-12-25(4,5)6/h7,10,13,16H,8,11,14H2,1-6H3/t16-/m1/s1
InChIKeyPCQQOJFQRLPXHW-MRXNPFEDSA-N
XLogP3.70
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-[(3-chloro-4-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 172892748
3-[(4-cyano-3-pyridinyl)oxy]pyrrolidine-1-carboxylic acid
CID 139331666
tert-butyl (3S)-3-[(5-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 140872433
tert-butyl 3-(4-amino-2-methylphenoxy)pyrrolidine-1-carboxylate
CID 166611410
tert-butyl 3-[(3,5-dimethyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 134495004
tert-butyl (3R)-3-(4-amino-2-methylphenoxy)pyrrolidine-1-carboxylate
CID 171624756
tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate
CID 24902489
tert-butyl 4-(5-bromoisoquinolin-8-yl)oxypiperidine-1-carboxylate
CID 130367043
tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
CID 46739871
tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate
CID 129411647
tert-butyl 3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 24902580
tert-butyl 3-(2,3-dichlorophenoxy)pyrrolidine-1-carboxylate
CID 69451031

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[4-(2-trimethylsilylethynyl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[4-(2-trimethylsilylethynyl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate (CID 175987200) is tert-butyl (3R)-3-[[4-(2-trimethylsilylethynyl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[4-(2-trimethylsilylethynyl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[4-(2-trimethylsilylethynyl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](Oc2cnccc2C#C[Si](C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-[[4-(2-trimethylsilylethynyl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate?
The InChIKey is PCQQOJFQRLPXHW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N2O3Si/c1-19(2,3)24-18(22)21-11-8-16(14-21)23-17-13-20-10-7-15(17)9-12-25(4,5)6/h7,10,13,16H,8,11,14H2,1-6H3/t16-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[4-(2-trimethylsilylethynyl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[[4-(2-trimethylsilylethynyl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate has a molecular weight of 360.53 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[4-(2-trimethylsilylethynyl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate is sourced from PubChem (CID 175987200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).