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

C12H19NO4 — CID 10988424

IUPACmethyl (6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1CCC=C[C@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C12H19NO4/c1-12(2)16-8-10(17-12)9-6-4-5-7-13(9)11(14)15-3/h4,6,9-10H,5,7-8H2,1-3H3/t9-,10+/m0/s1
InChIKeyAPEVUOPDKOYXMV-VHSXEESVSA-N
MW241.29 g/mol
LogP1.53
Rot. Bonds1

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

methyl (6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 10988424) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl (6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl (6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID10988424
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Namemethyl (6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1CCC=C[C@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C12H19NO4/c1-12(2)16-8-10(17-12)9-6-4-5-7-13(9)11(14)15-3/h4,6,9-10H,5,7-8H2,1-3H3/t9-,10+/m0/s1
InChIKeyAPEVUOPDKOYXMV-VHSXEESVSA-N
XLogP1.53
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

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Related Compounds

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
tert-butyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 52916323
tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]-N-prop-2-enylcarbamate
CID 72751537
methyl N-but-3-enyl-N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]carbamate
CID 72965657
tert-butyl N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate
CID 122401672

Frequently Asked Questions

What is the IUPAC name of methyl (6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl (6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 10988424) is methyl (6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl (6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl (6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is COC(=O)N1CCC=C[C@H]1[C@H]1COC(C)(C)O1.
What is the InChIKey of methyl (6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is APEVUOPDKOYXMV-VHSXEESVSA-N. The full InChI is InChI=1S/C12H19NO4/c1-12(2)16-8-10(17-12)9-6-4-5-7-13(9)11(14)15-3/h4,6,9-10H,5,7-8H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of methyl (6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
methyl (6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 10988424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).