4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid

C9H16NO5P — CID 14541467

IUPAC4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(C/C=C/P(=O)(O)O)CCN1
InChIInChI=1S/C9H16NO5P/c11-9(12)8-6-7(3-4-10-8)2-1-5-16(13,14)15/h1,5,7-8,10H,2-4,6H2,(H,11,12)(H2,13,14,15)/b5-1+
InChIKeyKWMQTYXPEOXMJB-ORCRQEGFSA-N
MW249.20 g/mol
LogP0.52
Rot. Bonds4

About 4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid

4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid (PubChem CID 14541467) has the molecular formula C9H16NO5P and a molecular weight of 249.20 g/mol. Its IUPAC name is 4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid
PubChem CID14541467
Molecular FormulaC9H16NO5P
Molecular Weight249.20 g/mol
Exact Mass249.08
IUPAC Name4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(C/C=C/P(=O)(O)O)CCN1
InChIInChI=1S/C9H16NO5P/c11-9(12)8-6-7(3-4-10-8)2-1-5-16(13,14)15/h1,5,7-8,10H,2-4,6H2,(H,11,12)(H2,13,14,15)/b5-1+
InChIKeyKWMQTYXPEOXMJB-ORCRQEGFSA-N
XLogP0.52
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid (CID 14541467) is 4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid is O=C(O)C1CC(C/C=C/P(=O)(O)O)CCN1.
What is the InChIKey of 4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid?
The InChIKey is KWMQTYXPEOXMJB-ORCRQEGFSA-N. The full InChI is InChI=1S/C9H16NO5P/c11-9(12)8-6-7(3-4-10-8)2-1-5-16(13,14)15/h1,5,7-8,10H,2-4,6H2,(H,11,12)(H2,13,14,15)/b5-1+.
What are the key properties of 4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid?
4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid has a molecular weight of 249.20 g/mol, XLogP of 0.52, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 14541467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).