(2S,5R)-5-hydroxy-6-oxopiperidine-2-carboxylic acid

C6H9NO4 — CID 68848721

IUPAC(2S,5R)-5-hydroxy-6-oxopiperidine-2-carboxylic acid
SMILESO=C1N[C@H](C(=O)O)CC[C@H]1O
InChIInChI=1S/C6H9NO4/c8-4-2-1-3(6(10)11)7-5(4)9/h3-4,8H,1-2H2,(H,7,9)(H,10,11)/t3-,4+/m0/s1
InChIKeyANOKROFXQXVJAL-IUYQGCFVSA-N
MW159.14 g/mol
LogP-1.29
Rot. Bonds1

About (2S,5R)-5-hydroxy-6-oxopiperidine-2-carboxylic acid

(2S,5R)-5-hydroxy-6-oxopiperidine-2-carboxylic acid (PubChem CID 68848721) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is (2S,5R)-5-hydroxy-6-oxopiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5R)-5-hydroxy-6-oxopiperidine-2-carboxylic acid
PubChem CID68848721
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name(2S,5R)-5-hydroxy-6-oxopiperidine-2-carboxylic acid
SMILESO=C1N[C@H](C(=O)O)CC[C@H]1O
InChIInChI=1S/C6H9NO4/c8-4-2-1-3(6(10)11)7-5(4)9/h3-4,8H,1-2H2,(H,7,9)(H,10,11)/t3-,4+/m0/s1
InChIKeyANOKROFXQXVJAL-IUYQGCFVSA-N
XLogP-1.29
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 ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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iron;bis((2S)-5-oxopyrrolidine-2-carboxylic acid)
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4-oxoazetidine-2-carboxylic acid;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-hydroxy-6-oxopiperidine-2-carboxylic acid?
The IUPAC name of (2S,5R)-5-hydroxy-6-oxopiperidine-2-carboxylic acid (CID 68848721) is (2S,5R)-5-hydroxy-6-oxopiperidine-2-carboxylic acid.
What is the SMILES notation for (2S,5R)-5-hydroxy-6-oxopiperidine-2-carboxylic acid?
The canonical SMILES for (2S,5R)-5-hydroxy-6-oxopiperidine-2-carboxylic acid is O=C1N[C@H](C(=O)O)CC[C@H]1O.
What is the InChIKey of (2S,5R)-5-hydroxy-6-oxopiperidine-2-carboxylic acid?
The InChIKey is ANOKROFXQXVJAL-IUYQGCFVSA-N. The full InChI is InChI=1S/C6H9NO4/c8-4-2-1-3(6(10)11)7-5(4)9/h3-4,8H,1-2H2,(H,7,9)(H,10,11)/t3-,4+/m0/s1.
What are the key properties of (2S,5R)-5-hydroxy-6-oxopiperidine-2-carboxylic acid?
(2S,5R)-5-hydroxy-6-oxopiperidine-2-carboxylic acid has a molecular weight of 159.14 g/mol, XLogP of -1.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-hydroxy-6-oxopiperidine-2-carboxylic acid is sourced from PubChem (CID 68848721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).