(2S,5S)-5-hydroxy-1-phosphanylpiperidine-2-carboxylic acid

C6H12NO3P — CID 166910012

IUPAC(2S,5S)-5-hydroxy-1-phosphanylpiperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](O)CN1P
InChIInChI=1S/C6H12NO3P/c8-4-1-2-5(6(9)10)7(11)3-4/h4-5,8H,1-3,11H2,(H,9,10)/t4-,5-/m0/s1
InChIKeyORZHWLKGGMIOIC-WHFBIAKZSA-N
MW177.14 g/mol
LogP-0.31
Rot. Bonds1

About (2S,5S)-5-hydroxy-1-phosphanylpiperidine-2-carboxylic acid

(2S,5S)-5-hydroxy-1-phosphanylpiperidine-2-carboxylic acid (PubChem CID 166910012) has the molecular formula C6H12NO3P and a molecular weight of 177.14 g/mol. Its IUPAC name is (2S,5S)-5-hydroxy-1-phosphanylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5S)-5-hydroxy-1-phosphanylpiperidine-2-carboxylic acid
PubChem CID166910012
Molecular FormulaC6H12NO3P
Molecular Weight177.14 g/mol
Exact Mass177.06
IUPAC Name(2S,5S)-5-hydroxy-1-phosphanylpiperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](O)CN1P
InChIInChI=1S/C6H12NO3P/c8-4-1-2-5(6(9)10)7(11)3-4/h4-5,8H,1-3,11H2,(H,9,10)/t4-,5-/m0/s1
InChIKeyORZHWLKGGMIOIC-WHFBIAKZSA-N
XLogP-0.31
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.14
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid
CID 87217284
1-phosphanylpyrrolidine-2,4-dicarboxylic acid
CID 134285736
(2S,5S)-5-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 66776878
(4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58820492
(2R,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58493970
1-(9H-fluoren-9-ylmethoxycarbonyl)-5-hydroxypiperidine-2-carboxylic acid
CID 90456877
(2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 118989202
(2S,4R)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 67775431
(2R,4S)-1-[(2S)-2-carboxypyrrolidin-1-yl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 174738513
(3R)-1-phosphanylpyrrolidin-3-ol
CID 59502132
(2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 2374396
(2S,4S)-4-hydroxy-1-nitrosopyrrolidine-2-carboxylic acid
CID 11953390

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-hydroxy-1-phosphanylpiperidine-2-carboxylic acid?
The IUPAC name of (2S,5S)-5-hydroxy-1-phosphanylpiperidine-2-carboxylic acid (CID 166910012) is (2S,5S)-5-hydroxy-1-phosphanylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2S,5S)-5-hydroxy-1-phosphanylpiperidine-2-carboxylic acid?
The canonical SMILES for (2S,5S)-5-hydroxy-1-phosphanylpiperidine-2-carboxylic acid is O=C(O)[C@@H]1CC[C@H](O)CN1P.
What is the InChIKey of (2S,5S)-5-hydroxy-1-phosphanylpiperidine-2-carboxylic acid?
The InChIKey is ORZHWLKGGMIOIC-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H12NO3P/c8-4-1-2-5(6(9)10)7(11)3-4/h4-5,8H,1-3,11H2,(H,9,10)/t4-,5-/m0/s1.
What are the key properties of (2S,5S)-5-hydroxy-1-phosphanylpiperidine-2-carboxylic acid?
(2S,5S)-5-hydroxy-1-phosphanylpiperidine-2-carboxylic acid has a molecular weight of 177.14 g/mol, XLogP of -0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-hydroxy-1-phosphanylpiperidine-2-carboxylic acid is sourced from PubChem (CID 166910012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).