tert-butyl (2S,4R)-2-(aminomethyl)-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate

C16H34N2O3Si — CID 173254372

IUPACtert-butyl (2S,4R)-2-(aminomethyl)-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate
SMILESC[SiH](C)O[C@]1(CN)C[C@H](C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H34N2O3Si/c1-14(2,3)12-9-16(11-17,21-22(7)8)18(10-12)13(19)20-15(4,5)6/h12,22H,9-11,17H2,1-8H3/t12-,16-/m0/s1
InChIKeyHCUUQYKJYMKFTR-LRDDRELGSA-N
MW330.55 g/mol
LogP2.94
Rot. Bonds3

About tert-butyl (2S,4R)-2-(aminomethyl)-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate

tert-butyl (2S,4R)-2-(aminomethyl)-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate (PubChem CID 173254372) has the molecular formula C16H34N2O3Si and a molecular weight of 330.55 g/mol. Its IUPAC name is tert-butyl (2S,4R)-2-(aminomethyl)-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-2-(aminomethyl)-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate
PubChem CID173254372
Molecular FormulaC16H34N2O3Si
Molecular Weight330.55 g/mol
Exact Mass330.23
IUPAC Nametert-butyl (2S,4R)-2-(aminomethyl)-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate
SMILESC[SiH](C)O[C@]1(CN)C[C@H](C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H34N2O3Si/c1-14(2,3)12-9-16(11-17,21-22(7)8)18(10-12)13(19)20-15(4,5)6/h12,22H,9-11,17H2,1-8H3/t12-,16-/m0/s1
InChIKeyHCUUQYKJYMKFTR-LRDDRELGSA-N
XLogP2.94
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.55
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 173291484
CID 173291484
tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-formylpyrrolidine-1-carboxylate
CID 173210248
tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-ethenylpyrrolidine-1-carboxylate
CID 173324867
tert-butyl (2S,4R)-4-tert-butyl-2-[(1S)-1,3-dihydroxypropyl]-2-dimethylsilyloxypyrrolidine-1-carboxylate
CID 173291233
tert-butyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[[4-(oxan-2-yloxymethyl)phenyl]methyl]pyrrolidine-1-carboxylate
CID 173279486
benzyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopent-3-enyl]pyrrolidine-1-carboxylate
CID 173388211
benzyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(Z)-5-[(2-methylpropan-2-yl)oxy]-5-oxopent-3-enyl]pyrrolidine-1-carboxylate
CID 173388210
tert-butyl (2S,4R)-2-[2-(butoxycarbonylamino)-1-hydroxyethyl]-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate
CID 173291267
prop-2-enyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(3-methylimidazol-4-yl)methyl]pyrrolidine-1-carboxylate
CID 173325459
tert-butyl (1S)-1-(aminomethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 130763288
tert-butyl (1S,4R)-1-(aminomethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 96536707
prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(E)-3-fluoroprop-1-enyl]pyrrolidine-1-carboxylate
CID 173348366

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-2-(aminomethyl)-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-2-(aminomethyl)-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate (CID 173254372) is tert-butyl (2S,4R)-2-(aminomethyl)-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-2-(aminomethyl)-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-2-(aminomethyl)-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate is C[SiH](C)O[C@]1(CN)C[C@H](C(C)(C)C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,4R)-2-(aminomethyl)-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate?
The InChIKey is HCUUQYKJYMKFTR-LRDDRELGSA-N. The full InChI is InChI=1S/C16H34N2O3Si/c1-14(2,3)12-9-16(11-17,21-22(7)8)18(10-12)13(19)20-15(4,5)6/h12,22H,9-11,17H2,1-8H3/t12-,16-/m0/s1.
What are the key properties of tert-butyl (2S,4R)-2-(aminomethyl)-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-2-(aminomethyl)-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate has a molecular weight of 330.55 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-2-(aminomethyl)-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate is sourced from PubChem (CID 173254372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).