4-(propoxymethyl)piperidine-2-carboxylic acid

C10H19NO3 — CID 18446281

IUPAC4-(propoxymethyl)piperidine-2-carboxylic acid
SMILESCCCOCC1CCNC(C(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-2-5-14-7-8-3-4-11-9(6-8)10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyVXGWRANZHDLQAZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.87
Rot. Bonds5

About 4-(propoxymethyl)piperidine-2-carboxylic acid

4-(propoxymethyl)piperidine-2-carboxylic acid (PubChem CID 18446281) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(propoxymethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(propoxymethyl)piperidine-2-carboxylic acid
PubChem CID18446281
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-(propoxymethyl)piperidine-2-carboxylic acid
SMILESCCCOCC1CCNC(C(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-2-5-14-7-8-3-4-11-9(6-8)10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyVXGWRANZHDLQAZ-UHFFFAOYSA-N
XLogP0.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(propoxymethyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-(propoxymethyl)piperidine-2-carboxylic acid (CID 18446281) is 4-(propoxymethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-(propoxymethyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-(propoxymethyl)piperidine-2-carboxylic acid is CCCOCC1CCNC(C(=O)O)C1.
What is the InChIKey of 4-(propoxymethyl)piperidine-2-carboxylic acid?
The InChIKey is VXGWRANZHDLQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-5-14-7-8-3-4-11-9(6-8)10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13).
What are the key properties of 4-(propoxymethyl)piperidine-2-carboxylic acid?
4-(propoxymethyl)piperidine-2-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propoxymethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 18446281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).