tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate

C11H19NO3 — CID 24854144

IUPACtert-butyl (2S,3R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESC[C@H]1[C@H](O)CC=CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO3/c1-8-9(13)6-5-7-12(8)10(14)15-11(2,3)4/h5,7-9,13H,6H2,1-4H3/t8-,9+/m0/s1
InChIKeyKCURJGIVKCRXEW-DTWKUNHWSA-N
MW213.28 g/mol
LogP1.89
Rot. Bonds

About tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate

tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 24854144) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID24854144
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl (2S,3R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESC[C@H]1[C@H](O)CC=CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO3/c1-8-9(13)6-5-7-12(8)10(14)15-11(2,3)4/h5,7-9,13H,6H2,1-4H3/t8-,9+/m0/s1
InChIKeyKCURJGIVKCRXEW-DTWKUNHWSA-N
XLogP1.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-(hydroxymethyl)-2,3-dihydropyrrole-1-carboxylate
CID 11458291
4-Hydroxy-3,4-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
CID 57368503
tert-butyl N-[(4R,5R)-5-hydroxyhept-1-en-4-yl]-N-prop-2-enylcarbamate
CID 45101555
tert-butyl (2S,3S)-3-(methoxymethoxy)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 101898073
Tert-butyl N-(2-hydroxypent-4-EN-1-YL)-N-(prop-2-EN-1-YL)carbamate
CID 52937225
Tert-butyl 2-(hydroxymethyl)-2,3-dihydropyrrole-1-carboxylate
CID 72969633
[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrol-2-yl]methyloxidanium
CID 144362225
tert-butyl (2S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 167528401
Tert-butyl (2-hydroxypent-4-EN-1-YL)(methyl)carbamate
CID 172108248
Tert-butyl 3-hydroxy-2,3,4,5-tetrahydroazepine-1-carboxylate
CID 172863225
tert-butyl N-[(3S,4R,5S)-4-hydroxy-2,5-dimethylhept-6-en-3-yl]-N-methylcarbamate
CID 10038848
tert-butyl N-[(3S,4S,5R)-4-hydroxy-2,5-dimethylhept-6-en-3-yl]-N-methylcarbamate
CID 10061755

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate (CID 24854144) is tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate is C[C@H]1[C@H](O)CC=CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is KCURJGIVKCRXEW-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8-9(13)6-5-7-12(8)10(14)15-11(2,3)4/h5,7-9,13H,6H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 24854144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).