4-O-methyl 1-O-prop-2-enyl (2S)-2-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate

C14H21NO4 — CID 11334645

IUPAC4-O-methyl 1-O-prop-2-enyl (2S)-2-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate
SMILESC=CCOC(=O)N1CC=C(C(=O)OC)C[C@H]1C(C)C
InChIInChI=1S/C14H21NO4/c1-5-8-19-14(17)15-7-6-11(13(16)18-4)9-12(15)10(2)3/h5-6,10,12H,1,7-9H2,2-4H3/t12-/m0/s1
InChIKeyMEEJQZYGQFCSRU-LBPRGKRZSA-N
MW267.32 g/mol
LogP2.14
Rot. Bonds4

About 4-O-methyl 1-O-prop-2-enyl (2S)-2-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate

4-O-methyl 1-O-prop-2-enyl (2S)-2-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate (PubChem CID 11334645) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-O-methyl 1-O-prop-2-enyl (2S)-2-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate.

Molecular Properties

Compound Name4-O-methyl 1-O-prop-2-enyl (2S)-2-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate
PubChem CID11334645
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name4-O-methyl 1-O-prop-2-enyl (2S)-2-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate
SMILESC=CCOC(=O)N1CC=C(C(=O)OC)C[C@H]1C(C)C
InChIInChI=1S/C14H21NO4/c1-5-8-19-14(17)15-7-6-11(13(16)18-4)9-12(15)10(2)3/h5-6,10,12H,1,7-9H2,2-4H3/t12-/m0/s1
InChIKeyMEEJQZYGQFCSRU-LBPRGKRZSA-N
XLogP2.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-O-methyl 1-O-prop-2-enyl (2S)-2-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate?
The IUPAC name of 4-O-methyl 1-O-prop-2-enyl (2S)-2-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate (CID 11334645) is 4-O-methyl 1-O-prop-2-enyl (2S)-2-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate.
What is the SMILES notation for 4-O-methyl 1-O-prop-2-enyl (2S)-2-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate?
The canonical SMILES for 4-O-methyl 1-O-prop-2-enyl (2S)-2-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate is C=CCOC(=O)N1CC=C(C(=O)OC)C[C@H]1C(C)C.
What is the InChIKey of 4-O-methyl 1-O-prop-2-enyl (2S)-2-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate?
The InChIKey is MEEJQZYGQFCSRU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO4/c1-5-8-19-14(17)15-7-6-11(13(16)18-4)9-12(15)10(2)3/h5-6,10,12H,1,7-9H2,2-4H3/t12-/m0/s1.
What are the key properties of 4-O-methyl 1-O-prop-2-enyl (2S)-2-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate?
4-O-methyl 1-O-prop-2-enyl (2S)-2-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate has a molecular weight of 267.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-methyl 1-O-prop-2-enyl (2S)-2-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate is sourced from PubChem (CID 11334645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).