4-O-tert-butyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate

C15H23NO4 — CID 10902032

IUPAC4-O-tert-butyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate
SMILESC=CCOC(=O)N1CC=C(C(=O)OC(C)(C)C)C[C@H]1C
InChIInChI=1S/C15H23NO4/c1-6-9-19-14(18)16-8-7-12(10-11(16)2)13(17)20-15(3,4)5/h6-7,11H,1,8-10H2,2-5H3/t11-/m1/s1
InChIKeyCZNPCNUEWFKLAS-LLVKDONJSA-N
MW281.35 g/mol
LogP2.67
Rot. Bonds3

About 4-O-tert-butyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate

4-O-tert-butyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate (PubChem CID 10902032) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-O-tert-butyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate.

Molecular Properties

Compound Name4-O-tert-butyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate
PubChem CID10902032
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name4-O-tert-butyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate
SMILESC=CCOC(=O)N1CC=C(C(=O)OC(C)(C)C)C[C@H]1C
InChIInChI=1S/C15H23NO4/c1-6-9-19-14(18)16-8-7-12(10-11(16)2)13(17)20-15(3,4)5/h6-7,11H,1,8-10H2,2-5H3/t11-/m1/s1
InChIKeyCZNPCNUEWFKLAS-LLVKDONJSA-N
XLogP2.67
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.67
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

1-Tert-butyl 4-methyl 1,2,3,6-tetrahydropyridine-1,4-dicarboxylate
CID 11806782
ethyl (S)-5-((tert-butoxycarbonyl)amino)cyclohexa-1,3-diene-1-carboxylate
CID 11666173
4-O-methyl 1-O-prop-2-enyl (2S)-2-(fluoromethyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxylate
CID 11436791
tert-butyl (2S)-2-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 58781883
(2S)-2-(fluoromethyl)-4-methoxycarbonyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 91305791
(2S)-2-(fluoromethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 91464380
4-O-tert-butyl 1-O-prop-2-enyl (2S)-2-(fluoromethyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxylate
CID 145783140
tert-butyl (2S)-2-[(Z)-3-ethoxy-3-oxoprop-1-enyl]-5-oxopyrrolidine-1-carboxylate
CID 134859890
tert-butyl (5S)-2-ethoxy-5-[(E)-3-ethoxy-2-methyl-3-oxoprop-1-enyl]pyrrolidine-1-carboxylate
CID 135014077
7-O-tert-butyl 1-O-ethyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]hept-2-enedioate
CID 10546262
1-allyl 4-ethyl (6S)-6-methyl-3,6-dihydro-1,4(2H)-pyridinedicarboxylate
CID 10912041
1-allyl 4-methyl (2R)-2-methyl-3,6-dihydro-1,4(2H)-pyridinedicarboxylate
CID 11107435

Frequently Asked Questions

What is the IUPAC name of 4-O-tert-butyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate?
The IUPAC name of 4-O-tert-butyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate (CID 10902032) is 4-O-tert-butyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate.
What is the SMILES notation for 4-O-tert-butyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate?
The canonical SMILES for 4-O-tert-butyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate is C=CCOC(=O)N1CC=C(C(=O)OC(C)(C)C)C[C@H]1C.
What is the InChIKey of 4-O-tert-butyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate?
The InChIKey is CZNPCNUEWFKLAS-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23NO4/c1-6-9-19-14(18)16-8-7-12(10-11(16)2)13(17)20-15(3,4)5/h6-7,11H,1,8-10H2,2-5H3/t11-/m1/s1.
What are the key properties of 4-O-tert-butyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate?
4-O-tert-butyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate has a molecular weight of 281.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-tert-butyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate is sourced from PubChem (CID 10902032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).