5-methyl-1-[[2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid

C21H29N3O4 — CID 122123586

IUPAC5-methyl-1-[[2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCc1cc(C)c(N2CCC(NC(=O)N3CC(C)CC(C(=O)O)C3)C2=O)c(C)c1
InChIInChI=1S/C21H29N3O4/c1-12-7-14(3)18(15(4)8-12)24-6-5-17(19(24)25)22-21(28)23-10-13(2)9-16(11-23)20(26)27/h7-8,13,16-17H,5-6,9-11H2,1-4H3,(H,22,28)(H,26,27)
InChIKeyREKDYFOFCHUZRL-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.47
Rot. Bonds3

About 5-methyl-1-[[2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid

5-methyl-1-[[2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122123586) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 5-methyl-1-[[2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[[2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122123586
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name5-methyl-1-[[2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCc1cc(C)c(N2CCC(NC(=O)N3CC(C)CC(C(=O)O)C3)C2=O)c(C)c1
InChIInChI=1S/C21H29N3O4/c1-12-7-14(3)18(15(4)8-12)24-6-5-17(19(24)25)22-21(28)23-10-13(2)9-16(11-23)20(26)27/h7-8,13,16-17H,5-6,9-11H2,1-4H3,(H,22,28)(H,26,27)
InChIKeyREKDYFOFCHUZRL-UHFFFAOYSA-N
XLogP2.47
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1-[[2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

3-(hydroxymethyl)-N-[(3R)-2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]azetidine-1-carboxamide
CID 124622078
5-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122872
2-methyl-3-oxo-3-[[2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]amino]propanoic acid
CID 122066328
5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid
CID 122123028
1-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122003176
1-(2,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119554
5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122122689
1-[(5-bromo-2,4-dimethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102886
1-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123219
5-methyl-1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122122094
1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122001630
1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 166238376

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[[2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[[2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid (CID 122123586) is 5-methyl-1-[[2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[[2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[[2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid is Cc1cc(C)c(N2CCC(NC(=O)N3CC(C)CC(C(=O)O)C3)C2=O)c(C)c1.
What is the InChIKey of 5-methyl-1-[[2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is REKDYFOFCHUZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-12-7-14(3)18(15(4)8-12)24-6-5-17(19(24)25)22-21(28)23-10-13(2)9-16(11-23)20(26)27/h7-8,13,16-17H,5-6,9-11H2,1-4H3,(H,22,28)(H,26,27).
What are the key properties of 5-methyl-1-[[2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[[2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 387.48 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[[2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122123586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).