2-oxopiperidine-4-carboxylic acid

C6H9NO3 — CID 55286080

IUPAC2-oxopiperidine-4-carboxylic acid
SMILESO=C1CC(C(=O)O)CCN1
InChIInChI=1S/C6H9NO3/c8-5-3-4(6(9)10)1-2-7-5/h4H,1-3H2,(H,7,8)(H,9,10)
InChIKeyBKZYLQVOHBJVPC-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.40
Rot. Bonds1

About 2-oxopiperidine-4-carboxylic acid

2-oxopiperidine-4-carboxylic acid (PubChem CID 55286080) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2-oxopiperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxopiperidine-4-carboxylic acid
PubChem CID55286080
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2-oxopiperidine-4-carboxylic acid
SMILESO=C1CC(C(=O)O)CCN1
InChIInChI=1S/C6H9NO3/c8-5-3-4(6(9)10)1-2-7-5/h4H,1-3H2,(H,7,8)(H,9,10)
InChIKeyBKZYLQVOHBJVPC-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

4-Piperidinecarboxylic acid
CID 3773
2,6-Dioxo-4-piperidinecarboxylic acid
CID 237026
2-(2-Oxopyrrolidin-3-yl)acetic acid
CID 21806862
4-(Hydroxymethyl)piperidin-2-one
CID 21840017
2-(2-Oxopiperidin-3-yl)acetic acid
CID 22097766
1-Methyl-2-oxopiperidine-4-carboxylic acid
CID 22265446
Methyl 2-oxopiperidine-4-carboxylate
CID 23093678
4-(4-Carbamoylpiperidin-1-yl)-4-oxobutanoic acid
CID 2826389
2-(6-Oxopiperidin-3-yl)acetic acid
CID 82415944
methyl (4R)-2-oxopiperidine-4-carboxylate
CID 86332884
4-(Ethylamino)-4-oxo-2-propan-2-ylbutanoic acid
CID 17942056
Ethyl 2-oxopiperidine-4-carboxylate
CID 18699051

Frequently Asked Questions

What is the IUPAC name of 2-oxopiperidine-4-carboxylic acid?
The IUPAC name of 2-oxopiperidine-4-carboxylic acid (CID 55286080) is 2-oxopiperidine-4-carboxylic acid.
What is the SMILES notation for 2-oxopiperidine-4-carboxylic acid?
The canonical SMILES for 2-oxopiperidine-4-carboxylic acid is O=C1CC(C(=O)O)CCN1.
What is the InChIKey of 2-oxopiperidine-4-carboxylic acid?
The InChIKey is BKZYLQVOHBJVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c8-5-3-4(6(9)10)1-2-7-5/h4H,1-3H2,(H,7,8)(H,9,10).
What are the key properties of 2-oxopiperidine-4-carboxylic acid?
2-oxopiperidine-4-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 2-oxopiperidine-4-carboxylic acid is sourced from PubChem (CID 55286080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).