3-propyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid

C13H22N2O3 — CID 104901135

IUPAC3-propyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)[C@H]2CCCN2)C1
InChIInChI=1S/C13H22N2O3/c1-2-5-13(12(17)18)6-8-15(9-13)11(16)10-4-3-7-14-10/h10,14H,2-9H2,1H3,(H,17,18)/t10-,13?/m1/s1
InChIKeyIVSWCXQACXLFBO-VUUHIHSGSA-N
MW254.33 g/mol
LogP0.84
Rot. Bonds4

About 3-propyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid

3-propyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 104901135) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-propyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-propyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID104901135
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-propyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)[C@H]2CCCN2)C1
InChIInChI=1S/C13H22N2O3/c1-2-5-13(12(17)18)6-8-15(9-13)11(16)10-4-3-7-14-10/h10,14H,2-9H2,1H3,(H,17,18)/t10-,13?/m1/s1
InChIKeyIVSWCXQACXLFBO-VUUHIHSGSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 63138206
1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid
CID 104913910
1-(azepane-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 64570144
4-ethyl-1-[(2R)-piperidine-2-carbonyl]piperidine-4-carboxylic acid
CID 104913902
1-(3-methylpiperidine-2-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 107068166
1-(2-oxo-1,3-thiazolidine-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63144812
1-(2,2-dimethylcyclopentanecarbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 107175468
1-(3-piperidin-2-ylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63144926
1-(piperidine-4-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138207
1-(piperidine-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63126106
3-propyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 63137721
(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017480

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-propyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid (CID 104901135) is 3-propyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-propyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-propyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)[C@H]2CCCN2)C1.
What is the InChIKey of 3-propyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is IVSWCXQACXLFBO-VUUHIHSGSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-5-13(12(17)18)6-8-15(9-13)11(16)10-4-3-7-14-10/h10,14H,2-9H2,1H3,(H,17,18)/t10-,13?/m1/s1.
What are the key properties of 3-propyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid?
3-propyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 104901135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).