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

C10H17NO3 — CID 11367638

IUPACtert-butyl (3S)-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C[C@H](O)C1
InChIInChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h4-5,8,12H,6-7H2,1-3H3/t8-/m0/s1
InChIKeyNICJOYHYEDFTIX-QMMMGPOBSA-N
MW199.25 g/mol
LogP1.15
Rot. Bonds

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

tert-butyl (3S)-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 11367638) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is tert-butyl (3S)-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID11367638
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nametert-butyl (3S)-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C[C@H](O)C1
InChIInChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h4-5,8,12H,6-7H2,1-3H3/t8-/m0/s1
InChIKeyNICJOYHYEDFTIX-QMMMGPOBSA-N
XLogP1.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate (CID 11367638) is tert-butyl (3S)-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=C[C@H](O)C1.
What is the InChIKey of tert-butyl (3S)-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is NICJOYHYEDFTIX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h4-5,8,12H,6-7H2,1-3H3/t8-/m0/s1.
What are the key properties of tert-butyl (3S)-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl (3S)-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 11367638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).