2-hydroxy-6-oxopiperidine-4-carboxylic acid

C6H9NO4 — CID 74545567

IUPAC2-hydroxy-6-oxopiperidine-4-carboxylic acid
SMILESO=C1CC(C(=O)O)CC(O)N1
InChIInChI=1S/C6H9NO4/c8-4-1-3(6(10)11)2-5(9)7-4/h3-4,8H,1-2H2,(H,7,9)(H,10,11)
InChIKeyGICJIVKCUPGJHC-UHFFFAOYSA-N
MW159.14 g/mol
LogP-1.08
Rot. Bonds1

About 2-hydroxy-6-oxopiperidine-4-carboxylic acid

2-hydroxy-6-oxopiperidine-4-carboxylic acid (PubChem CID 74545567) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2-hydroxy-6-oxopiperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-6-oxopiperidine-4-carboxylic acid
PubChem CID74545567
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name2-hydroxy-6-oxopiperidine-4-carboxylic acid
SMILESO=C1CC(C(=O)O)CC(O)N1
InChIInChI=1S/C6H9NO4/c8-4-1-3(6(10)11)2-5(9)7-4/h3-4,8H,1-2H2,(H,7,9)(H,10,11)
InChIKeyGICJIVKCUPGJHC-UHFFFAOYSA-N
XLogP-1.08
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-oxopiperidine-4-carboxylic acid?
The IUPAC name of 2-hydroxy-6-oxopiperidine-4-carboxylic acid (CID 74545567) is 2-hydroxy-6-oxopiperidine-4-carboxylic acid.
What is the SMILES notation for 2-hydroxy-6-oxopiperidine-4-carboxylic acid?
The canonical SMILES for 2-hydroxy-6-oxopiperidine-4-carboxylic acid is O=C1CC(C(=O)O)CC(O)N1.
What is the InChIKey of 2-hydroxy-6-oxopiperidine-4-carboxylic acid?
The InChIKey is GICJIVKCUPGJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c8-4-1-3(6(10)11)2-5(9)7-4/h3-4,8H,1-2H2,(H,7,9)(H,10,11).
What are the key properties of 2-hydroxy-6-oxopiperidine-4-carboxylic acid?
2-hydroxy-6-oxopiperidine-4-carboxylic acid has a molecular weight of 159.14 g/mol, XLogP of -1.08, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-oxopiperidine-4-carboxylic acid is sourced from PubChem (CID 74545567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).