1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid

C13H22N2O2 — CID 65071018

IUPAC1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C1CCN(C2CC2)C1
InChIInChI=1S/C13H22N2O2/c1-13(12(16)17)6-2-7-15(13)11-5-8-14(9-11)10-3-4-10/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyXWHRNGGJRDIJFG-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.16
Rot. Bonds3

About 1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid

1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 65071018) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid
PubChem CID65071018
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C1CCN(C2CC2)C1
InChIInChI=1S/C13H22N2O2/c1-13(12(16)17)6-2-7-15(13)11-5-8-14(9-11)10-3-4-10/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyXWHRNGGJRDIJFG-UHFFFAOYSA-N
XLogP1.16
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylcyclohexyl)-2-methylpyrrolidine-2-carboxylic acid
CID 65071175
1-(4-tert-butylcycloheptyl)-2-methylpyrrolidine-2-carboxylic acid
CID 65094686
1-(3-cyclopropylcyclohexyl)-2-methylpiperidine-2-carboxylic acid
CID 104599255
2-methyl-1-(1-methylazepan-4-yl)piperidine-2-carboxylic acid
CID 104599068
1-(5,5-dimethylthian-3-yl)-2-methylpyrrolidine-2-carboxylic acid
CID 79946409
1-(2-tert-butylcyclohexyl)-2-methylpyrrolidine-2-carboxylic acid
CID 65070972
CID 162348779
CID 162348779
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylic acid
CID 104598676
2-methyl-1-(2-methyloxolan-3-yl)piperidine-2-carboxylic acid
CID 104599130
2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid
CID 79933505
1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-methylpyrrolidine-2-carboxylic acid
CID 65070925
1-(2,4-dimethylcyclohexyl)-2-methylpiperidine-2-carboxylic acid
CID 113431183

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid (CID 65071018) is 1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid is CC1(C(=O)O)CCCN1C1CCN(C2CC2)C1.
What is the InChIKey of 1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is XWHRNGGJRDIJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(12(16)17)6-2-7-15(13)11-5-8-14(9-11)10-3-4-10/h10-11H,2-9H2,1H3,(H,16,17).
What are the key properties of 1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid?
1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 238.33 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65071018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).