3,3,4,5,5-pentadeuterio-4-hydroxypiperidine-1-carboxylic acid

C6H11NO3 — CID 118451416

IUPAC3,3,4,5,5-pentadeuterio-4-hydroxypiperidine-1-carboxylic acid
SMILES[2H]C1([2H])CN(C(=O)O)CC([2H])([2H])C1([2H])O
InChIInChI=1S/C6H11NO3/c8-5-1-3-7(4-2-5)6(9)10/h5,8H,1-4H2,(H,9,10)/i1D2,2D2,5D
InChIKeyOHZUEFKOZYWUFF-QJWYSIDNSA-N
MW150.19 g/mol
LogP0.12
Rot. Bonds

About 3,3,4,5,5-pentadeuterio-4-hydroxypiperidine-1-carboxylic acid

3,3,4,5,5-pentadeuterio-4-hydroxypiperidine-1-carboxylic acid (PubChem CID 118451416) has the molecular formula C6H11NO3 and a molecular weight of 150.19 g/mol. Its IUPAC name is 3,3,4,5,5-pentadeuterio-4-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3,3,4,5,5-pentadeuterio-4-hydroxypiperidine-1-carboxylic acid
PubChem CID118451416
Molecular FormulaC6H11NO3
Molecular Weight150.19 g/mol
Exact Mass150.11
IUPAC Name3,3,4,5,5-pentadeuterio-4-hydroxypiperidine-1-carboxylic acid
SMILES[2H]C1([2H])CN(C(=O)O)CC([2H])([2H])C1([2H])O
InChIInChI=1S/C6H11NO3/c8-5-1-3-7(4-2-5)6(9)10/h5,8H,1-4H2,(H,9,10)/i1D2,2D2,5D
InChIKeyOHZUEFKOZYWUFF-QJWYSIDNSA-N
XLogP0.12
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

piperidine-1,4-dicarboxylic acid
CID 18542445
(1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 170429882
oxalic acid;piperidine-1-carboxylic acid
CID 158853542
(3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid
CID 134211031
(3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylic acid
CID 69429414
(3R)-3-fluoro-4-hydroxypyrrolidine-1-carboxylic acid
CID 175579106
(3S,4S)-3-fluoro-4-hydroxypyrrolidine-1-carboxylic acid
CID 135307863
3-(1-carboxyethyl)azetidine-1-carboxylic acid
CID 123935097
4-acetylpiperidine-1-carboxylic acid
CID 22135578
iodomethane;piperidine-1-carboxylic acid
CID 159672368
3-aminoazetidine-1-carboxylic acid;hydrochloride
CID 126721297
4-methylpiperazine-1-carboxylic acid;hydrochloride
CID 70630580

Frequently Asked Questions

What is the IUPAC name of 3,3,4,5,5-pentadeuterio-4-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 3,3,4,5,5-pentadeuterio-4-hydroxypiperidine-1-carboxylic acid (CID 118451416) is 3,3,4,5,5-pentadeuterio-4-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 3,3,4,5,5-pentadeuterio-4-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 3,3,4,5,5-pentadeuterio-4-hydroxypiperidine-1-carboxylic acid is [2H]C1([2H])CN(C(=O)O)CC([2H])([2H])C1([2H])O.
What is the InChIKey of 3,3,4,5,5-pentadeuterio-4-hydroxypiperidine-1-carboxylic acid?
The InChIKey is OHZUEFKOZYWUFF-QJWYSIDNSA-N. The full InChI is InChI=1S/C6H11NO3/c8-5-1-3-7(4-2-5)6(9)10/h5,8H,1-4H2,(H,9,10)/i1D2,2D2,5D.
What are the key properties of 3,3,4,5,5-pentadeuterio-4-hydroxypiperidine-1-carboxylic acid?
3,3,4,5,5-pentadeuterio-4-hydroxypiperidine-1-carboxylic acid has a molecular weight of 150.19 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5,5-pentadeuterio-4-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 118451416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).