6-oxopiperidine-2-carboxylic acid

C6H9NO3 — CID 3014237

IUPAC6-oxopiperidine-2-carboxylic acid
SMILESO=C1CCCC(C(=O)O)N1
InChIInChI=1S/C6H9NO3/c8-5-3-1-2-4(7-5)6(9)10/h4H,1-3H2,(H,7,8)(H,9,10)
InChIKeyFZXCPFJMYOQZCA-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.26
Rot. Bonds1

About 6-oxopiperidine-2-carboxylic acid

6-oxopiperidine-2-carboxylic acid (PubChem CID 3014237) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 6-oxopiperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-oxopiperidine-2-carboxylic acid
PubChem CID3014237
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name6-oxopiperidine-2-carboxylic acid
SMILESO=C1CCCC(C(=O)O)N1
InChIInChI=1S/C6H9NO3/c8-5-3-1-2-4(7-5)6(9)10/h4H,1-3H2,(H,7,8)(H,9,10)
InChIKeyFZXCPFJMYOQZCA-UHFFFAOYSA-N
XLogP-0.26
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 ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxopiperidine-2-carboxylic acid?
The IUPAC name of 6-oxopiperidine-2-carboxylic acid (CID 3014237) is 6-oxopiperidine-2-carboxylic acid.
What is the SMILES notation for 6-oxopiperidine-2-carboxylic acid?
The canonical SMILES for 6-oxopiperidine-2-carboxylic acid is O=C1CCCC(C(=O)O)N1.
What is the InChIKey of 6-oxopiperidine-2-carboxylic acid?
The InChIKey is FZXCPFJMYOQZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c8-5-3-1-2-4(7-5)6(9)10/h4H,1-3H2,(H,7,8)(H,9,10).
What are the key properties of 6-oxopiperidine-2-carboxylic acid?
6-oxopiperidine-2-carboxylic acid has a molecular weight of 143.14 g/mol, XLogP of -0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxopiperidine-2-carboxylic acid is sourced from PubChem (CID 3014237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).