tert-butyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C15H25NO4 — CID 52916323

IUPACtert-butyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=CC[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H25NO4/c1-14(2,3)20-13(17)16-9-7-6-8-11(16)12-10-18-15(4,5)19-12/h6-7,11-12H,8-10H2,1-5H3/t11-,12-/m1/s1
InChIKeyUAFGACLPYYZKHJ-VXGBXAGGSA-N
MW283.37 g/mol
LogP2.70
Rot. Bonds1

About tert-butyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 52916323) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID52916323
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Nametert-butyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=CC[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H25NO4/c1-14(2,3)20-13(17)16-9-7-6-8-11(16)12-10-18-15(4,5)19-12/h6-7,11-12H,8-10H2,1-5H3/t11-,12-/m1/s1
InChIKeyUAFGACLPYYZKHJ-VXGBXAGGSA-N
XLogP2.70
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl]-N-prop-2-enylcarbamate
CID 45101551
tert-butyl N-[1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enyl]-N-prop-2-enylcarbamate
CID 134842785
Tert-butyl spiro[1,3-dioxolane-2,5'-7-azabicyclo[2.2.1]hept-2-ene]-7'-carboxylate
CID 59737053
tert-butyl (7Z)-2,2-dimethyl-4,6,9,9a-tetrahydro-3aH-oxocino[4,3-d][1,3]oxazole-1-carboxylate
CID 59921668
tert-butyl 2,2-dimethyl-4,6,9,9a-tetrahydro-3aH-oxocino[4,3-d][1,3]oxazole-1-carboxylate
CID 72596565
methyl (6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 10988424
tert-butyl 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 11087794
tert-butyl (1'S,4'S)-spiro[1,3-dioxolane-2,5'-7-azabicyclo[2.2.1]hept-2-ene]-7'-carboxylate
CID 11149454
tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate
CID 11208719
tert-butyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydropyrrole-1-carboxylate
CID 11369225
methyl N-but-3-enyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]carbamate
CID 11448587
ethyl (2S)-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2,5-dihydropyrrole-1-carboxylate
CID 16079455

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 52916323) is tert-butyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=CC[C@@H]1[C@H]1COC(C)(C)O1.
What is the InChIKey of tert-butyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is UAFGACLPYYZKHJ-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H25NO4/c1-14(2,3)20-13(17)16-9-7-6-8-11(16)12-10-18-15(4,5)19-12/h6-7,11-12H,8-10H2,1-5H3/t11-,12-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 52916323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).