2-trimethylsilylethyl (3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate

C16H33N3O4Si — CID 66621710

IUPAC2-trimethylsilylethyl (3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N[C@@H]1CN(C(=O)OCC[Si](C)(C)C)CC[C@@H]1N
InChIInChI=1S/C16H33N3O4Si/c1-16(2,3)23-14(20)18-13-11-19(8-7-12(13)17)15(21)22-9-10-24(4,5)6/h12-13H,7-11,17H2,1-6H3,(H,18,20)/t12-,13+/m0/s1
InChIKeyJXGPFSAAYYZVLN-QWHCGFSZSA-N
MW359.54 g/mol
LogP2.39
Rot. Bonds4

About 2-trimethylsilylethyl (3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate

2-trimethylsilylethyl (3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate (PubChem CID 66621710) has the molecular formula C16H33N3O4Si and a molecular weight of 359.54 g/mol. Its IUPAC name is 2-trimethylsilylethyl (3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl (3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
PubChem CID66621710
Molecular FormulaC16H33N3O4Si
Molecular Weight359.54 g/mol
Exact Mass359.22
IUPAC Name2-trimethylsilylethyl (3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N[C@@H]1CN(C(=O)OCC[Si](C)(C)C)CC[C@@H]1N
InChIInChI=1S/C16H33N3O4Si/c1-16(2,3)23-14(20)18-13-11-19(8-7-12(13)17)15(21)22-9-10-24(4,5)6/h12-13H,7-11,17H2,1-6H3,(H,18,20)/t12-,13+/m0/s1
InChIKeyJXGPFSAAYYZVLN-QWHCGFSZSA-N
XLogP2.39
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-trimethylsilylethyl (3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate with MolForge

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Related Compounds

(3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 91362762
tert-butyl 4-(phenylmethoxycarbonylamino)-3-(2-trimethylsilylethoxycarbonylamino)piperidine-1-carboxylate
CID 140672940
tert-butyl (3S)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 130735515
2-chloroethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 70003507
tert-butyl N-(4-amino-1-propan-2-ylpiperidin-3-yl)carbamate
CID 134435069
3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 139434729
tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
2-trimethylsilylethyl 4-iodopiperidine-1-carboxylate
CID 22238408
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate
CID 123824709
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
benzyl (3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(trifluoromethoxy)piperidine-1-carboxylate
CID 166560952

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The IUPAC name of 2-trimethylsilylethyl (3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate (CID 66621710) is 2-trimethylsilylethyl (3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl (3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl (3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)OCC[Si](C)(C)C)CC[C@@H]1N.
What is the InChIKey of 2-trimethylsilylethyl (3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The InChIKey is JXGPFSAAYYZVLN-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H33N3O4Si/c1-16(2,3)23-14(20)18-13-11-19(8-7-12(13)17)15(21)22-9-10-24(4,5)6/h12-13H,7-11,17H2,1-6H3,(H,18,20)/t12-,13+/m0/s1.
What are the key properties of 2-trimethylsilylethyl (3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
2-trimethylsilylethyl (3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate has a molecular weight of 359.54 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl (3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 66621710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).