3-methyl-1-(3-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid

C13H22N2O3 — CID 107068667

IUPAC3-methyl-1-(3-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCCNC1C(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C13H22N2O3/c1-8-4-3-6-14-10(8)12(16)15-7-5-9(2)11(15)13(17)18/h8-11,14H,3-7H2,1-2H3,(H,17,18)
InChIKeyIJBNNDIAWPCLIS-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.70
Rot. Bonds2

About 3-methyl-1-(3-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid

3-methyl-1-(3-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 107068667) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-methyl-1-(3-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(3-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID107068667
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-methyl-1-(3-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCCNC1C(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C13H22N2O3/c1-8-4-3-6-14-10(8)12(16)15-7-5-9(2)11(15)13(17)18/h8-11,14H,3-7H2,1-2H3,(H,17,18)
InChIKeyIJBNNDIAWPCLIS-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 102780280
3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 102775893
(3-methylmorpholin-4-yl)-(3-methylpiperidin-2-yl)methanone
CID 62340300
1-(3-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 62338760
(3R)-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid
CID 107068398
(2,4-dimethylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone
CID 114085731
1-(4-hydroxypyrrolidine-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780201
3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid
CID 107175978
1,4-diazepan-1-yl-(3-methylpiperidin-2-yl)methanone
CID 107067220
3-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 102775119
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(3-methylpiperidin-2-yl)methanone
CID 62480452
5-(3-methylpiperidine-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 107068091

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(3-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 107068667) is 3-methyl-1-(3-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(3-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(3-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid is CC1CCCNC1C(=O)N1CCC(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(3-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is IJBNNDIAWPCLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-8-4-3-6-14-10(8)12(16)15-7-5-9(2)11(15)13(17)18/h8-11,14H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-1-(3-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
3-methyl-1-(3-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 107068667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).