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

C19H39NO4Si — CID 14808651

IUPACtert-butyl (2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutan-2-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1[C@@H](CCO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H39NO4Si/c1-18(2,3)24-17(22)20-12-9-10-16(20)15(11-13-21)14-23-25(7,8)19(4,5)6/h15-16,21H,9-14H2,1-8H3/t15-,16-/m0/s1
InChIKeySIQNTPCHLFFZBM-HOTGVXAUSA-N
MW373.61 g/mol
LogP4.41
Rot. Bonds6

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

tert-butyl (2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutan-2-yl]pyrrolidine-1-carboxylate (PubChem CID 14808651) has the molecular formula C19H39NO4Si and a molecular weight of 373.61 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutan-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutan-2-yl]pyrrolidine-1-carboxylate
PubChem CID14808651
Molecular FormulaC19H39NO4Si
Molecular Weight373.61 g/mol
Exact Mass373.26
IUPAC Nametert-butyl (2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutan-2-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1[C@@H](CCO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H39NO4Si/c1-18(2,3)24-17(22)20-12-9-10-16(20)15(11-13-21)14-23-25(7,8)19(4,5)6/h15-16,21H,9-14H2,1-8H3/t15-,16-/m0/s1
InChIKeySIQNTPCHLFFZBM-HOTGVXAUSA-N
XLogP4.41
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.61
LogP ≤ 54.41
H-Bond Donors ≤ 51
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)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutan-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutan-2-yl]pyrrolidine-1-carboxylate (CID 14808651) is tert-butyl (2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutan-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutan-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutan-2-yl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H](CCO)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutan-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is SIQNTPCHLFFZBM-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H39NO4Si/c1-18(2,3)24-17(22)20-12-9-10-16(20)15(11-13-21)14-23-25(7,8)19(4,5)6/h15-16,21H,9-14H2,1-8H3/t15-,16-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutan-2-yl]pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutan-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 373.61 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutan-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 14808651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).