(2S)-4-oxopiperidine-2-carboxylic acid

C6H9NO3 — CID 11062499

IUPAC(2S)-4-oxopiperidine-2-carboxylic acid
SMILESO=C1CCN[C@H](C(=O)O)C1
InChIInChI=1S/C6H9NO3/c8-4-1-2-7-5(3-4)6(9)10/h5,7H,1-3H2,(H,9,10)/t5-/m0/s1
InChIKeyUAISREBYDOFHJY-YFKPBYRVSA-N
MW143.14 g/mol
LogP-0.61
Rot. Bonds1

About (2S)-4-oxopiperidine-2-carboxylic acid

(2S)-4-oxopiperidine-2-carboxylic acid (PubChem CID 11062499) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (2S)-4-oxopiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-oxopiperidine-2-carboxylic acid
PubChem CID11062499
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(2S)-4-oxopiperidine-2-carboxylic acid
SMILESO=C1CCN[C@H](C(=O)O)C1
InChIInChI=1S/C6H9NO3/c8-4-1-2-7-5(3-4)6(9)10/h5,7H,1-3H2,(H,9,10)/t5-/m0/s1
InChIKeyUAISREBYDOFHJY-YFKPBYRVSA-N
XLogP-0.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-oxopiperidine-2-carboxylic acid?
The IUPAC name of (2S)-4-oxopiperidine-2-carboxylic acid (CID 11062499) is (2S)-4-oxopiperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-oxopiperidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-oxopiperidine-2-carboxylic acid is O=C1CCN[C@H](C(=O)O)C1.
What is the InChIKey of (2S)-4-oxopiperidine-2-carboxylic acid?
The InChIKey is UAISREBYDOFHJY-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9NO3/c8-4-1-2-7-5(3-4)6(9)10/h5,7H,1-3H2,(H,9,10)/t5-/m0/s1.
What are the key properties of (2S)-4-oxopiperidine-2-carboxylic acid?
(2S)-4-oxopiperidine-2-carboxylic acid has a molecular weight of 143.14 g/mol, XLogP of -0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-oxopiperidine-2-carboxylic acid is sourced from PubChem (CID 11062499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).