3,4,5,6-tetramethylidenepiperidine-2-carboxylic acid

C10H11NO2 — CID 88720241

IUPAC3,4,5,6-tetramethylidenepiperidine-2-carboxylic acid
SMILESC=C1NC(C(=O)O)C(=C)C(=C)C1=C
InChIInChI=1S/C10H11NO2/c1-5-6(2)8(4)11-9(7(5)3)10(12)13/h9,11H,1-4H2,(H,12,13)
InChIKeyVSDUHTKIPVMSNI-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.23
Rot. Bonds1

About 3,4,5,6-tetramethylidenepiperidine-2-carboxylic acid

3,4,5,6-tetramethylidenepiperidine-2-carboxylic acid (PubChem CID 88720241) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3,4,5,6-tetramethylidenepiperidine-2-carboxylic acid.

Molecular Properties

Compound Name3,4,5,6-tetramethylidenepiperidine-2-carboxylic acid
PubChem CID88720241
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name3,4,5,6-tetramethylidenepiperidine-2-carboxylic acid
SMILESC=C1NC(C(=O)O)C(=C)C(=C)C1=C
InChIInChI=1S/C10H11NO2/c1-5-6(2)8(4)11-9(7(5)3)10(12)13/h9,11H,1-4H2,(H,12,13)
InChIKeyVSDUHTKIPVMSNI-UHFFFAOYSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetramethylidenepiperidine-2-carboxylic acid?
The IUPAC name of 3,4,5,6-tetramethylidenepiperidine-2-carboxylic acid (CID 88720241) is 3,4,5,6-tetramethylidenepiperidine-2-carboxylic acid.
What is the SMILES notation for 3,4,5,6-tetramethylidenepiperidine-2-carboxylic acid?
The canonical SMILES for 3,4,5,6-tetramethylidenepiperidine-2-carboxylic acid is C=C1NC(C(=O)O)C(=C)C(=C)C1=C.
What is the InChIKey of 3,4,5,6-tetramethylidenepiperidine-2-carboxylic acid?
The InChIKey is VSDUHTKIPVMSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-5-6(2)8(4)11-9(7(5)3)10(12)13/h9,11H,1-4H2,(H,12,13).
What are the key properties of 3,4,5,6-tetramethylidenepiperidine-2-carboxylic acid?
3,4,5,6-tetramethylidenepiperidine-2-carboxylic acid has a molecular weight of 177.20 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetramethylidenepiperidine-2-carboxylic acid is sourced from PubChem (CID 88720241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).