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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Related Compounds

(2-methylpiperidin-3-yl)phosphonic acid
CID 138723768
fluorophosphonic acid;pyrrolidine-2-carboxylic acid
CID 157183973
(2R,3R)-3-(2-phosphonoacetyl)piperidine-2-carboxylic acid
CID 15030797
3-hydroxypiperidine-2-carboxylic acid;hydrochloride
CID 72996039
(2R,3R)-piperazine-2,3-dicarboxylic acid
CID 29413693
[(2R)-pyrrolidin-2-yl]phosphonic acid
CID 53355435
3-propan-2-ylpiperidine-2-carboxylic acid
CID 130003072
pyrrolidin-2-ylphosphonic acid;hydrate
CID 168869998
3-piperidin-1-ylpiperidine-2-carboxylic acid
CID 83835245
(213C)azolidine-2-carboxylic acid
CID 10290769
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614

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).