2-methyl-4-piperidin-1-ylpent-2-enoic acid

C11H19NO2 — CID 68657244

IUPAC2-methyl-4-piperidin-1-ylpent-2-enoic acid
SMILESCC(=CC(C)N1CCCCC1)C(=O)O
InChIInChI=1S/C11H19NO2/c1-9(11(13)14)8-10(2)12-6-4-3-5-7-12/h8,10H,3-7H2,1-2H3,(H,13,14)
InChIKeyZEMFCALEQYRQEB-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.89
Rot. Bonds3

About 2-methyl-4-piperidin-1-ylpent-2-enoic acid

2-methyl-4-piperidin-1-ylpent-2-enoic acid (PubChem CID 68657244) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methyl-4-piperidin-1-ylpent-2-enoic acid.

Molecular Properties

Compound Name2-methyl-4-piperidin-1-ylpent-2-enoic acid
PubChem CID68657244
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-methyl-4-piperidin-1-ylpent-2-enoic acid
SMILESCC(=CC(C)N1CCCCC1)C(=O)O
InChIInChI=1S/C11H19NO2/c1-9(11(13)14)8-10(2)12-6-4-3-5-7-12/h8,10H,3-7H2,1-2H3,(H,13,14)
InChIKeyZEMFCALEQYRQEB-UHFFFAOYSA-N
XLogP1.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methyl-4-piperidin-1-ylpent-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperidin-1-ylpent-2-enoic acid?
The IUPAC name of 2-methyl-4-piperidin-1-ylpent-2-enoic acid (CID 68657244) is 2-methyl-4-piperidin-1-ylpent-2-enoic acid.
What is the SMILES notation for 2-methyl-4-piperidin-1-ylpent-2-enoic acid?
The canonical SMILES for 2-methyl-4-piperidin-1-ylpent-2-enoic acid is CC(=CC(C)N1CCCCC1)C(=O)O.
What is the InChIKey of 2-methyl-4-piperidin-1-ylpent-2-enoic acid?
The InChIKey is ZEMFCALEQYRQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(11(13)14)8-10(2)12-6-4-3-5-7-12/h8,10H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-4-piperidin-1-ylpent-2-enoic acid?
2-methyl-4-piperidin-1-ylpent-2-enoic acid has a molecular weight of 197.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperidin-1-ylpent-2-enoic acid is sourced from PubChem (CID 68657244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).