[(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid

C13H28N2O3Si — CID 70982831

IUPAC[(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid
SMILESC[C@@H]1CNC[C@@H](NC(=O)O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28N2O3Si/c1-9-7-14-8-10(15-12(16)17)11(9)18-19(5,6)13(2,3)4/h9-11,14-15H,7-8H2,1-6H3,(H,16,17)/t9-,10-,11-/m1/s1
InChIKeyYDDKWAPEMICPPS-GMTAPVOTSA-N
MW288.46 g/mol
LogP2.25
Rot. Bonds3

About [(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid

[(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid (PubChem CID 70982831) has the molecular formula C13H28N2O3Si and a molecular weight of 288.46 g/mol. Its IUPAC name is [(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid
PubChem CID70982831
Molecular FormulaC13H28N2O3Si
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name[(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid
SMILESC[C@@H]1CNC[C@@H](NC(=O)O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28N2O3Si/c1-9-7-14-8-10(15-12(16)17)11(9)18-19(5,6)13(2,3)4/h9-11,14-15H,7-8H2,1-6H3,(H,16,17)/t9-,10-,11-/m1/s1
InChIKeyYDDKWAPEMICPPS-GMTAPVOTSA-N
XLogP2.25
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid
CID 67130699
[(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 174057960
[(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-(3-methyl-5-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid
CID 90279704
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
[(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]-(3-nitro-4-pyridinyl)carbamic acid
CID 68563141
tert-butyl N-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-bicyclo[3.1.0]hexanyl]carbamate
CID 140783948
[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69017541
(4-ethylpyrrolidin-3-yl)carbamic acid
CID 174763111
[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]carbamic acid
CID 141358006
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyazetidine-2-carboxylate
CID 53302300
(1S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 59284760
[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamic acid
CID 141220052

Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid?
The IUPAC name of [(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid (CID 70982831) is [(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid?
The canonical SMILES for [(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid is C[C@@H]1CNC[C@@H](NC(=O)O)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid?
The InChIKey is YDDKWAPEMICPPS-GMTAPVOTSA-N. The full InChI is InChI=1S/C13H28N2O3Si/c1-9-7-14-8-10(15-12(16)17)11(9)18-19(5,6)13(2,3)4/h9-11,14-15H,7-8H2,1-6H3,(H,16,17)/t9-,10-,11-/m1/s1.
What are the key properties of [(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid?
[(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid has a molecular weight of 288.46 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid is sourced from PubChem (CID 70982831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).