3-phosphonopiperidine-2-carboxylic acid

C6H12NO5P — CID 14850766

IUPAC3-phosphonopiperidine-2-carboxylic acid
SMILESO=C(O)C1NCCCC1P(=O)(O)O
InChIInChI=1S/C6H12NO5P/c8-6(9)5-4(13(10,11)12)2-1-3-7-5/h4-5,7H,1-3H2,(H,8,9)(H2,10,11,12)
InChIKeyVAMLKMKDDVBZIL-UHFFFAOYSA-N
MW209.14 g/mol
LogP-0.63
Rot. Bonds2

About 3-phosphonopiperidine-2-carboxylic acid

3-phosphonopiperidine-2-carboxylic acid (PubChem CID 14850766) has the molecular formula C6H12NO5P and a molecular weight of 209.14 g/mol. Its IUPAC name is 3-phosphonopiperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-phosphonopiperidine-2-carboxylic acid
PubChem CID14850766
Molecular FormulaC6H12NO5P
Molecular Weight209.14 g/mol
Exact Mass209.05
IUPAC Name3-phosphonopiperidine-2-carboxylic acid
SMILESO=C(O)C1NCCCC1P(=O)(O)O
InChIInChI=1S/C6H12NO5P/c8-6(9)5-4(13(10,11)12)2-1-3-7-5/h4-5,7H,1-3H2,(H,8,9)(H2,10,11,12)
InChIKeyVAMLKMKDDVBZIL-UHFFFAOYSA-N
XLogP-0.63
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.14
LogP ≤ 5-0.63
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 3-phosphonopiperidine-2-carboxylic acid?
The IUPAC name of 3-phosphonopiperidine-2-carboxylic acid (CID 14850766) is 3-phosphonopiperidine-2-carboxylic acid.
What is the SMILES notation for 3-phosphonopiperidine-2-carboxylic acid?
The canonical SMILES for 3-phosphonopiperidine-2-carboxylic acid is O=C(O)C1NCCCC1P(=O)(O)O.
What is the InChIKey of 3-phosphonopiperidine-2-carboxylic acid?
The InChIKey is VAMLKMKDDVBZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO5P/c8-6(9)5-4(13(10,11)12)2-1-3-7-5/h4-5,7H,1-3H2,(H,8,9)(H2,10,11,12).
What are the key properties of 3-phosphonopiperidine-2-carboxylic acid?
3-phosphonopiperidine-2-carboxylic acid has a molecular weight of 209.14 g/mol, XLogP of -0.63, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phosphonopiperidine-2-carboxylic acid is sourced from PubChem (CID 14850766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).