6-oxopiperidine-3-carboxylic acid

C6H9NO3 — CID 560090

IUPAC6-oxopiperidine-3-carboxylic acid
SMILESO=C1CCC(C(=O)O)CN1
InChIInChI=1S/C6H9NO3/c8-5-2-1-4(3-7-5)6(9)10/h4H,1-3H2,(H,7,8)(H,9,10)
InChIKeyLWZUSLUUMWDITR-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.40
Rot. Bonds1

About 6-oxopiperidine-3-carboxylic acid

6-oxopiperidine-3-carboxylic acid (PubChem CID 560090) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxopiperidine-3-carboxylic acid
PubChem CID560090
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name6-oxopiperidine-3-carboxylic acid
SMILESO=C1CCC(C(=O)O)CN1
InChIInChI=1S/C6H9NO3/c8-5-2-1-4(3-7-5)6(9)10/h4H,1-3H2,(H,7,8)(H,9,10)
InChIKeyLWZUSLUUMWDITR-UHFFFAOYSA-N
XLogP-0.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Nipecotic Acid
CID 4498
Nipecotic acid, S-(+)-
CID 6575389
(-)-Nipecotic acid
CID 1796510
(3R)-piperidine-3-carboxylate
CID 1796509
2-Oxo-3-piperidinecarboxylic acid
CID 12388269
5-(Hydroxymethyl)piperidin-2-one
CID 15386079
Methyl 6-oxopiperidine-3-carboxylate
CID 568114
Ethyl 6-oxopiperidine-3-carboxylate
CID 15386078
(3S)-piperidine-3-carboxylic acid hydrochloride
CID 24820453
(3R)-piperidine-3-carboxylic acid hydrochloride
CID 24820499
1-Methyl-6-oxopiperidine-3-carboxylic acid
CID 25247731
(3R)-6-oxopiperidine-3-carboxylic acid
CID 42546122

Frequently Asked Questions

What is the IUPAC name of 6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 6-oxopiperidine-3-carboxylic acid (CID 560090) is 6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 6-oxopiperidine-3-carboxylic acid is O=C1CCC(C(=O)O)CN1.
What is the InChIKey of 6-oxopiperidine-3-carboxylic acid?
The InChIKey is LWZUSLUUMWDITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c8-5-2-1-4(3-7-5)6(9)10/h4H,1-3H2,(H,7,8)(H,9,10).
What are the key properties of 6-oxopiperidine-3-carboxylic acid?
6-oxopiperidine-3-carboxylic acid has a molecular weight of 143.14 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 560090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).