tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyanopyrrolidine-1-carboxylate

C17H32N2O3Si — CID 132515167

IUPACtert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyanopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(C#N)CC[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32N2O3Si/c1-16(2,3)22-15(20)19-13(11-18)9-10-14(19)12-21-23(7,8)17(4,5)6/h13-14H,9-10,12H2,1-8H3/t13?,14-/m1/s1
InChIKeyUBIFYBRWKHTEME-ARLHGKGLSA-N
MW340.54 g/mol
LogP4.30
Rot. Bonds3

About tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyanopyrrolidine-1-carboxylate

tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyanopyrrolidine-1-carboxylate (PubChem CID 132515167) has the molecular formula C17H32N2O3Si and a molecular weight of 340.54 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyanopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyanopyrrolidine-1-carboxylate
PubChem CID132515167
Molecular FormulaC17H32N2O3Si
Molecular Weight340.54 g/mol
Exact Mass340.22
IUPAC Nametert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyanopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(C#N)CC[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32N2O3Si/c1-16(2,3)22-15(20)19-13(11-18)9-10-14(19)12-21-23(7,8)17(4,5)6/h13-14H,9-10,12H2,1-8H3/t13?,14-/m1/s1
InChIKeyUBIFYBRWKHTEME-ARLHGKGLSA-N
XLogP4.30
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylate
CID 67633255
tert-butyl (5S)-2-cyano-5-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 171072769
tert-butyl (2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(cyanomethyl)pyrrolidine-1-carboxylate
CID 134958998
1-O-tert-butyl 2-O-methyl (2R,5R)-5-cyanopyrrolidine-1,2-dicarboxylate
CID 124655941
tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[3-(cyclopenten-1-yl)propyl]pyrrolidine-1-carboxylate
CID 122400427
tert-butyl (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate
CID 10646738
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate
CID 10852705
tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-2-oxopyrrolidine-1-carboxylate
CID 66622874
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxypiperidine-1-carboxylate
CID 11554705
tert-butyl (2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-formylpiperidine-1-carboxylate
CID 102410807
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepiperidine-1-carboxylate
CID 66733909
tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 169084975

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyanopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyanopyrrolidine-1-carboxylate (CID 132515167) is tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyanopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyanopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyanopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(C#N)CC[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyanopyrrolidine-1-carboxylate?
The InChIKey is UBIFYBRWKHTEME-ARLHGKGLSA-N. The full InChI is InChI=1S/C17H32N2O3Si/c1-16(2,3)22-15(20)19-13(11-18)9-10-14(19)12-21-23(7,8)17(4,5)6/h13-14H,9-10,12H2,1-8H3/t13?,14-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyanopyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyanopyrrolidine-1-carboxylate has a molecular weight of 340.54 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyanopyrrolidine-1-carboxylate is sourced from PubChem (CID 132515167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).