tert-butyl (3S,4S,5R)-3,4,5-trihydroxy-3-(hydroxymethyl)piperidine-1-carboxylate

C11H21NO6 — CID 131228157

IUPACtert-butyl (3S,4S,5R)-3,4,5-trihydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](O)[C@H](O)[C@@](O)(CO)C1
InChIInChI=1S/C11H21NO6/c1-10(2,3)18-9(16)12-4-7(14)8(15)11(17,5-12)6-13/h7-8,13-15,17H,4-6H2,1-3H3/t7-,8+,11+/m1/s1
InChIKeyRDNDRLKZSDYOFV-FYBVGQRMSA-N
MW263.29 g/mol
LogP-1.32
Rot. Bonds1

About tert-butyl (3S,4S,5R)-3,4,5-trihydroxy-3-(hydroxymethyl)piperidine-1-carboxylate

tert-butyl (3S,4S,5R)-3,4,5-trihydroxy-3-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 131228157) has the molecular formula C11H21NO6 and a molecular weight of 263.29 g/mol. Its IUPAC name is tert-butyl (3S,4S,5R)-3,4,5-trihydroxy-3-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4S,5R)-3,4,5-trihydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID131228157
Molecular FormulaC11H21NO6
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC Nametert-butyl (3S,4S,5R)-3,4,5-trihydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](O)[C@H](O)[C@@](O)(CO)C1
InChIInChI=1S/C11H21NO6/c1-10(2,3)18-9(16)12-4-7(14)8(15)11(17,5-12)6-13/h7-8,13-15,17H,4-6H2,1-3H3/t7-,8+,11+/m1/s1
InChIKeyRDNDRLKZSDYOFV-FYBVGQRMSA-N
XLogP-1.32
TPSA110.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl (3R,4R,5R,6S)-3,4,5,6-tetrahydroxyazepane-1-carboxylate
CID 139845782
tert-butyl (3R)-3-fluoro-3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 138112305
tert-butyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 59842033
tert-butyl (1R,5R,6R)-6-(hydroxymethyl)-1-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 90183766
tert-butyl (4S)-4-hydroxy-3,3-dimethylpyrrolidine-1-carboxylate
CID 118369273
tert-butyl 4-(2-hydroxyethyl)-3,3-dimethylpyrrolidine-1-carboxylate
CID 155820839
(1S,5S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;(1R,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 167994280
(1R,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 97291630
tert-butyl (9S,10R)-9,10-dihydroxy-7-azaspiro[4.6]undecane-7-carboxylate
CID 178194398
tert-butyl (3R,4R)-3-(hydroxymethyl)-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 124634045
tert-butyl (1R,5S)-6-fluoro-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 175936343

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4S,5R)-3,4,5-trihydroxy-3-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4S,5R)-3,4,5-trihydroxy-3-(hydroxymethyl)piperidine-1-carboxylate (CID 131228157) is tert-butyl (3S,4S,5R)-3,4,5-trihydroxy-3-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4S,5R)-3,4,5-trihydroxy-3-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4S,5R)-3,4,5-trihydroxy-3-(hydroxymethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](O)[C@@](O)(CO)C1.
What is the InChIKey of tert-butyl (3S,4S,5R)-3,4,5-trihydroxy-3-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is RDNDRLKZSDYOFV-FYBVGQRMSA-N. The full InChI is InChI=1S/C11H21NO6/c1-10(2,3)18-9(16)12-4-7(14)8(15)11(17,5-12)6-13/h7-8,13-15,17H,4-6H2,1-3H3/t7-,8+,11+/m1/s1.
What are the key properties of tert-butyl (3S,4S,5R)-3,4,5-trihydroxy-3-(hydroxymethyl)piperidine-1-carboxylate?
tert-butyl (3S,4S,5R)-3,4,5-trihydroxy-3-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 263.29 g/mol, XLogP of -1.32, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4S,5R)-3,4,5-trihydroxy-3-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 131228157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).