4-(3-ethoxypropyl)piperidine-2-carboxylic acid

C11H21NO3 — CID 18446263

IUPAC4-(3-ethoxypropyl)piperidine-2-carboxylic acid
SMILESCCOCCCC1CCNC(C(=O)O)C1
InChIInChI=1S/C11H21NO3/c1-2-15-7-3-4-9-5-6-12-10(8-9)11(13)14/h9-10,12H,2-8H2,1H3,(H,13,14)
InChIKeyACRIRHSECOIRSV-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.26
Rot. Bonds6

About 4-(3-ethoxypropyl)piperidine-2-carboxylic acid

4-(3-ethoxypropyl)piperidine-2-carboxylic acid (PubChem CID 18446263) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-(3-ethoxypropyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-ethoxypropyl)piperidine-2-carboxylic acid
PubChem CID18446263
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-(3-ethoxypropyl)piperidine-2-carboxylic acid
SMILESCCOCCCC1CCNC(C(=O)O)C1
InChIInChI=1S/C11H21NO3/c1-2-15-7-3-4-9-5-6-12-10(8-9)11(13)14/h9-10,12H,2-8H2,1H3,(H,13,14)
InChIKeyACRIRHSECOIRSV-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-ethoxypropyl)piperidine-2-carboxylic 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 4-(3-ethoxypropyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-(3-ethoxypropyl)piperidine-2-carboxylic acid (CID 18446263) is 4-(3-ethoxypropyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-(3-ethoxypropyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-(3-ethoxypropyl)piperidine-2-carboxylic acid is CCOCCCC1CCNC(C(=O)O)C1.
What is the InChIKey of 4-(3-ethoxypropyl)piperidine-2-carboxylic acid?
The InChIKey is ACRIRHSECOIRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-15-7-3-4-9-5-6-12-10(8-9)11(13)14/h9-10,12H,2-8H2,1H3,(H,13,14).
What are the key properties of 4-(3-ethoxypropyl)piperidine-2-carboxylic acid?
4-(3-ethoxypropyl)piperidine-2-carboxylic acid has a molecular weight of 215.29 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypropyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 18446263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).