2-ethenyl-1-methoxycarbonyl-4-methylidenepiperidine-2,6-dicarboxylic acid

C12H15NO6 — CID 15713243

IUPAC2-ethenyl-1-methoxycarbonyl-4-methylidenepiperidine-2,6-dicarboxylic acid
SMILESC=CC1(C(=O)O)CC(=C)CC(C(=O)O)N1C(=O)OC
InChIInChI=1S/C12H15NO6/c1-4-12(10(16)17)6-7(2)5-8(9(14)15)13(12)11(18)19-3/h4,8H,1-2,5-6H2,3H3,(H,14,15)(H,16,17)
InChIKeyAQBXRPBJJFKBGX-UHFFFAOYSA-N
MW269.25 g/mol
LogP0.87
Rot. Bonds3

About 2-ethenyl-1-methoxycarbonyl-4-methylidenepiperidine-2,6-dicarboxylic acid

2-ethenyl-1-methoxycarbonyl-4-methylidenepiperidine-2,6-dicarboxylic acid (PubChem CID 15713243) has the molecular formula C12H15NO6 and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-ethenyl-1-methoxycarbonyl-4-methylidenepiperidine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name2-ethenyl-1-methoxycarbonyl-4-methylidenepiperidine-2,6-dicarboxylic acid
PubChem CID15713243
Molecular FormulaC12H15NO6
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name2-ethenyl-1-methoxycarbonyl-4-methylidenepiperidine-2,6-dicarboxylic acid
SMILESC=CC1(C(=O)O)CC(=C)CC(C(=O)O)N1C(=O)OC
InChIInChI=1S/C12H15NO6/c1-4-12(10(16)17)6-7(2)5-8(9(14)15)13(12)11(18)19-3/h4,8H,1-2,5-6H2,3H3,(H,14,15)(H,16,17)
InChIKeyAQBXRPBJJFKBGX-UHFFFAOYSA-N
XLogP0.87
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
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 2-ethenyl-1-methoxycarbonyl-4-methylidenepiperidine-2,6-dicarboxylic acid?
The IUPAC name of 2-ethenyl-1-methoxycarbonyl-4-methylidenepiperidine-2,6-dicarboxylic acid (CID 15713243) is 2-ethenyl-1-methoxycarbonyl-4-methylidenepiperidine-2,6-dicarboxylic acid.
What is the SMILES notation for 2-ethenyl-1-methoxycarbonyl-4-methylidenepiperidine-2,6-dicarboxylic acid?
The canonical SMILES for 2-ethenyl-1-methoxycarbonyl-4-methylidenepiperidine-2,6-dicarboxylic acid is C=CC1(C(=O)O)CC(=C)CC(C(=O)O)N1C(=O)OC.
What is the InChIKey of 2-ethenyl-1-methoxycarbonyl-4-methylidenepiperidine-2,6-dicarboxylic acid?
The InChIKey is AQBXRPBJJFKBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6/c1-4-12(10(16)17)6-7(2)5-8(9(14)15)13(12)11(18)19-3/h4,8H,1-2,5-6H2,3H3,(H,14,15)(H,16,17).
What are the key properties of 2-ethenyl-1-methoxycarbonyl-4-methylidenepiperidine-2,6-dicarboxylic acid?
2-ethenyl-1-methoxycarbonyl-4-methylidenepiperidine-2,6-dicarboxylic acid has a molecular weight of 269.25 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-methoxycarbonyl-4-methylidenepiperidine-2,6-dicarboxylic acid is sourced from PubChem (CID 15713243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).