2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid

C13H22N2O3 — CID 79363721

IUPAC2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1CCN(C(=O)N2CCC(C(=O)O)C2C)CC1
InChIInChI=1S/C13H22N2O3/c1-9-3-6-14(7-4-9)13(18)15-8-5-11(10(15)2)12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyWAXIQROHZOHJOO-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.63
Rot. Bonds1

About 2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid

2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 79363721) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID79363721
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1CCN(C(=O)N2CCC(C(=O)O)C2C)CC1
InChIInChI=1S/C13H22N2O3/c1-9-3-6-14(7-4-9)13(18)15-8-5-11(10(15)2)12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyWAXIQROHZOHJOO-UHFFFAOYSA-N
XLogP1.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(3-methylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383271
2-methyl-1-(thiomorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383102
2-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 79377877
1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79377376
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
1-(4-methylpiperidine-1-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918481
1-(3-methoxy-4-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 102962516
2-methyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383557
1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79382487
2-methyl-1-(2-methyl-1,4-oxazepane-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383287
4-methyl-1-(4-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
CID 114425581
2-methyl-1-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 102891043

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid (CID 79363721) is 2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid is CC1CCN(C(=O)N2CCC(C(=O)O)C2C)CC1.
What is the InChIKey of 2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is WAXIQROHZOHJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9-3-6-14(7-4-9)13(18)15-8-5-11(10(15)2)12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79363721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).