5-hydroxypiperidin-1-ium-2-carboxylate

C6H11NO3 — CID 25202536

IUPAC5-hydroxypiperidin-1-ium-2-carboxylate
SMILESO=C([O-])C1CCC(O)C[NH2+]1
InChIInChI=1S/C6H11NO3/c8-4-1-2-5(6(9)10)7-3-4/h4-5,7-8H,1-3H2,(H,9,10)
InChIKeyRKEYKDXXZCICFZ-UHFFFAOYSA-N
MW145.16 g/mol
LogP-3.18
Rot. Bonds1

About 5-hydroxypiperidin-1-ium-2-carboxylate

5-hydroxypiperidin-1-ium-2-carboxylate (PubChem CID 25202536) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 5-hydroxypiperidin-1-ium-2-carboxylate.

Molecular Properties

Compound Name5-hydroxypiperidin-1-ium-2-carboxylate
PubChem CID25202536
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name5-hydroxypiperidin-1-ium-2-carboxylate
SMILESO=C([O-])C1CCC(O)C[NH2+]1
InChIInChI=1S/C6H11NO3/c8-4-1-2-5(6(9)10)7-3-4/h4-5,7-8H,1-3H2,(H,9,10)
InChIKeyRKEYKDXXZCICFZ-UHFFFAOYSA-N
XLogP-3.18
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-3.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxypiperidin-1-ium-2-carboxylate?
The IUPAC name of 5-hydroxypiperidin-1-ium-2-carboxylate (CID 25202536) is 5-hydroxypiperidin-1-ium-2-carboxylate.
What is the SMILES notation for 5-hydroxypiperidin-1-ium-2-carboxylate?
The canonical SMILES for 5-hydroxypiperidin-1-ium-2-carboxylate is O=C([O-])C1CCC(O)C[NH2+]1.
What is the InChIKey of 5-hydroxypiperidin-1-ium-2-carboxylate?
The InChIKey is RKEYKDXXZCICFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c8-4-1-2-5(6(9)10)7-3-4/h4-5,7-8H,1-3H2,(H,9,10).
What are the key properties of 5-hydroxypiperidin-1-ium-2-carboxylate?
5-hydroxypiperidin-1-ium-2-carboxylate has a molecular weight of 145.16 g/mol, XLogP of -3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypiperidin-1-ium-2-carboxylate is sourced from PubChem (CID 25202536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).