1-[2-(2,5-dimethylpyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid

C13H22N2O3 — CID 119354016

IUPAC1-[2-(2,5-dimethylpyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCC1CCC(C)N1CC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C13H22N2O3/c1-9-3-4-10(2)15(9)8-12(16)14-6-5-11(7-14)13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyFMISJQZYUWOFEK-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.79
Rot. Bonds3

About 1-[2-(2,5-dimethylpyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid

1-[2-(2,5-dimethylpyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 119354016) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylpyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,5-dimethylpyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID119354016
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[2-(2,5-dimethylpyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCC1CCC(C)N1CC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C13H22N2O3/c1-9-3-4-10(2)15(9)8-12(16)14-6-5-11(7-14)13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyFMISJQZYUWOFEK-UHFFFAOYSA-N
XLogP0.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aziridin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)ethanone
CID 130727537
1-(2-cyclopropylacetyl)pyrrolidine-3-carboxylic acid
CID 63007289
1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63030606
pyrrolidine-1,3-dicarboxylic acid
CID 22258620
1-[2-(4,4-dimethylcyclohexyl)acetyl]pyrrolidine-3-carboxylic acid
CID 120533851
(3S)-1-[2-(2-methylpropylsulfonyl)acetyl]pyrrolidine-3-carboxylic acid
CID 125149048
1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid
CID 60702456
1-[2-(2,3-dihydroindol-1-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119353686
1-(5-amino-4-methylpentanoyl)pyrrolidine-3-carboxylic acid
CID 82012551
1-pent-4-enoylpyrrolidine-3-carboxylic acid
CID 63030781
1-(3-cyclobutylpropanoyl)pyrrolidine-3-carboxylic acid
CID 119355276
1-carbamoylpyrrolidine-3-carboxylic acid
CID 19959123

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylpyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2,5-dimethylpyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid (CID 119354016) is 1-[2-(2,5-dimethylpyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2,5-dimethylpyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2,5-dimethylpyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid is CC1CCC(C)N1CC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(2,5-dimethylpyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is FMISJQZYUWOFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9-3-4-10(2)15(9)8-12(16)14-6-5-11(7-14)13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-(2,5-dimethylpyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid?
1-[2-(2,5-dimethylpyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylpyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119354016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).