5-oxo-4-piperidin-3-ylpyrrolidine-2-carboxylic acid

C10H16N2O3 — CID 115027866

IUPAC5-oxo-4-piperidin-3-ylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(C2CCCNC2)C(=O)N1
InChIInChI=1S/C10H16N2O3/c13-9-7(4-8(12-9)10(14)15)6-2-1-3-11-5-6/h6-8,11H,1-5H2,(H,12,13)(H,14,15)
InChIKeySRYFNCRQWOZMCH-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.42
Rot. Bonds2

About 5-oxo-4-piperidin-3-ylpyrrolidine-2-carboxylic acid

5-oxo-4-piperidin-3-ylpyrrolidine-2-carboxylic acid (PubChem CID 115027866) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-oxo-4-piperidin-3-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-4-piperidin-3-ylpyrrolidine-2-carboxylic acid
PubChem CID115027866
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name5-oxo-4-piperidin-3-ylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(C2CCCNC2)C(=O)N1
InChIInChI=1S/C10H16N2O3/c13-9-7(4-8(12-9)10(14)15)6-2-1-3-11-5-6/h6-8,11H,1-5H2,(H,12,13)(H,14,15)
InChIKeySRYFNCRQWOZMCH-UHFFFAOYSA-N
XLogP-0.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-5-oxopyrrolidine-2-carboxylic acid
CID 115013532
1-oxo-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinoline-3-carboxylic acid
CID 54025439
calcium;(2S)-pyrrolidine-2-carboxylic acid;dichloride
CID 174944173
4-piperidin-3-ylcyclohexan-1-one
CID 130987031
3-[(3S)-piperidin-3-yl]azetidine-1-carboxylic acid
CID 134211094
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
(6R)-2-oxo-1,3-diazinane-4,6-dicarboxylic acid
CID 70376519
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
(2S,5R)-5-hydroxy-6-oxopiperidine-2-carboxylic acid
CID 68848721
(2S)-piperazine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 158458864

Frequently Asked Questions

What is the IUPAC name of 5-oxo-4-piperidin-3-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of 5-oxo-4-piperidin-3-ylpyrrolidine-2-carboxylic acid (CID 115027866) is 5-oxo-4-piperidin-3-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-4-piperidin-3-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-oxo-4-piperidin-3-ylpyrrolidine-2-carboxylic acid is O=C(O)C1CC(C2CCCNC2)C(=O)N1.
What is the InChIKey of 5-oxo-4-piperidin-3-ylpyrrolidine-2-carboxylic acid?
The InChIKey is SRYFNCRQWOZMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-9-7(4-8(12-9)10(14)15)6-2-1-3-11-5-6/h6-8,11H,1-5H2,(H,12,13)(H,14,15).
What are the key properties of 5-oxo-4-piperidin-3-ylpyrrolidine-2-carboxylic acid?
5-oxo-4-piperidin-3-ylpyrrolidine-2-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of -0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-4-piperidin-3-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 115027866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).