2-[1-[(E)-but-2-enyl]piperidin-2-yl]acetic acid

C11H19NO2 — CID 61009719

IUPAC2-[1-[(E)-but-2-enyl]piperidin-2-yl]acetic acid
SMILESC/C=C/CN1CCCCC1CC(=O)O
InChIInChI=1S/C11H19NO2/c1-2-3-7-12-8-5-4-6-10(12)9-11(13)14/h2-3,10H,4-9H2,1H3,(H,13,14)/b3-2+
InChIKeyRXUGCGFNEWWAFL-NSCUHMNNSA-N
MW197.28 g/mol
LogP1.89
Rot. Bonds4

About 2-[1-[(E)-but-2-enyl]piperidin-2-yl]acetic acid

2-[1-[(E)-but-2-enyl]piperidin-2-yl]acetic acid (PubChem CID 61009719) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[1-[(E)-but-2-enyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(E)-but-2-enyl]piperidin-2-yl]acetic acid
PubChem CID61009719
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-[1-[(E)-but-2-enyl]piperidin-2-yl]acetic acid
SMILESC/C=C/CN1CCCCC1CC(=O)O
InChIInChI=1S/C11H19NO2/c1-2-3-7-12-8-5-4-6-10(12)9-11(13)14/h2-3,10H,4-9H2,1H3,(H,13,14)/b3-2+
InChIKeyRXUGCGFNEWWAFL-NSCUHMNNSA-N
XLogP1.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[1-[(E)-but-2-enyl]piperidin-2-yl]acetic 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-[1-[(E)-but-2-enyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(E)-but-2-enyl]piperidin-2-yl]acetic acid (CID 61009719) is 2-[1-[(E)-but-2-enyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(E)-but-2-enyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(E)-but-2-enyl]piperidin-2-yl]acetic acid is C/C=C/CN1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-[(E)-but-2-enyl]piperidin-2-yl]acetic acid?
The InChIKey is RXUGCGFNEWWAFL-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-3-7-12-8-5-4-6-10(12)9-11(13)14/h2-3,10H,4-9H2,1H3,(H,13,14)/b3-2+.
What are the key properties of 2-[1-[(E)-but-2-enyl]piperidin-2-yl]acetic acid?
2-[1-[(E)-but-2-enyl]piperidin-2-yl]acetic acid has a molecular weight of 197.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-but-2-enyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61009719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).