tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate

C11H19NO3 — CID 24854143

IUPACtert-butyl (2S,3R)-3-hydroxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC[C@H]1[C@H](O)C=CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO3/c1-8-9(13)6-5-7-12(8)10(14)15-11(2,3)4/h5-6,8-9,13H,7H2,1-4H3/t8-,9+/m0/s1
InChIKeySAFFLEFQQLVZJC-DTWKUNHWSA-N
MW213.28 g/mol
LogP1.54
Rot. Bonds

About tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 24854143) 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-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3R)-3-hydroxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID24854143
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl (2S,3R)-3-hydroxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC[C@H]1[C@H](O)C=CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO3/c1-8-9(13)6-5-7-12(8)10(14)15-11(2,3)4/h5-6,8-9,13H,7H2,1-4H3/t8-,9+/m0/s1
InChIKeySAFFLEFQQLVZJC-DTWKUNHWSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Hydroxy-1,2,3,6-tetrahydropyridine, N-BOC protected
CID 17750131
tert-butyl 2-(hydroxymethyl)-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 11095619
Tert-butyl6-(hydroxymethyl)-6-methyl-1,2,3,6-tetrahydropyridine-1-carboxylate
CID 165886582
tert-butyl N-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]-N-prop-2-enylcarbamate
CID 10977532
tert-butyl (3S)-3-hydroxy-1,2,3,6-tetrahydropyridine-1-carboxylate
CID 11367638
(S)-Tert-butyl 2-(hydroxymethyl)-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 11790194
Carbamic acid, N-(2-hydroxy-3-buten-1-yl)-N-2-propen-1-yl-, 1,1-dimethylethyl ester
CID 57751866
ethyl 3-hydroxy-3,6-dihydropyridine-1(2H)-carboxylate
CID 13042964
tert-butyl (2R)-2-(hydroxymethyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 23628359
tert-butyl 5-ethenyl-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 24795411
tert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]-N-prop-2-enylcarbamate
CID 24854142
tert-butyl (2R)-2-[(1R)-1-hydroxypropyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 45101556

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 24854143) is tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate is C[C@H]1[C@H](O)C=CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is SAFFLEFQQLVZJC-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/h5-6,8-9,13H,7H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.54, 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-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 24854143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).