5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid

C15H26N2O3 — CID 20556287

IUPAC5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCN1C(C)(C)CC(N2CC(C(=O)O)CC2=O)CC1(C)C
InChIInChI=1S/C15H26N2O3/c1-14(2)7-11(8-15(3,4)16(14)5)17-9-10(13(19)20)6-12(17)18/h10-11H,6-9H2,1-5H3,(H,19,20)
InChIKeyKQRHGRSRWAVLMY-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.57
Rot. Bonds2

About 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid

5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 20556287) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID20556287
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCN1C(C)(C)CC(N2CC(C(=O)O)CC2=O)CC1(C)C
InChIInChI=1S/C15H26N2O3/c1-14(2)7-11(8-15(3,4)16(14)5)17-9-10(13(19)20)6-12(17)18/h10-11H,6-9H2,1-5H3,(H,19,20)
InChIKeyKQRHGRSRWAVLMY-UHFFFAOYSA-N
XLogP1.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Cyclohexyl-5-oxopyrrolidine-3-carboxylic acid
CID 238546
1-(4-Methylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2967410
1-[1-(tert-Butoxycarbonyl)-4-piperidinyl]-5-oxo-3-pyrrolidinecarboxylic acid
CID 18526034
5-Oxo-1-(2,2,6,6-tetramethyl-4-piperidinyl)-3-pyrrolidinecarboxylic acid
CID 20556293
1-[3-(4-Isopropylpiperazin-1-YL)-3-oxopropyl]-5-oxopyrrolidine-3-carboxylic acid
CID 50962989
1-Heptyl-5-oxopyrrolidine-3-carboxylic acid
CID 4778004
(3S)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylic acid
CID 6541044
1-[2-(1-Methylpyrrolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 10125234
4-(Methoxycarbonyl)-1-(2,2,6,6-tetramethyl-4-piperidinyl)-2-pyrrolidone
CID 13628613
Methyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate
CID 20556288
Methyl 1-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxylate
CID 20556289
Methyl 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 20556296

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid (CID 20556287) is 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid is CN1C(C)(C)CC(N2CC(C(=O)O)CC2=O)CC1(C)C.
What is the InChIKey of 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is KQRHGRSRWAVLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-14(2)7-11(8-15(3,4)16(14)5)17-9-10(13(19)20)6-12(17)18/h10-11H,6-9H2,1-5H3,(H,19,20).
What are the key properties of 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid?
5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 20556287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).