2-(piperidin-1-ylmethyl)pyrrolidine-2-carboxylic acid

C11H20N2O2 — CID 117272111

IUPAC2-(piperidin-1-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1(CN2CCCCC2)CCCN1
InChIInChI=1S/C11H20N2O2/c14-10(15)11(5-4-6-12-11)9-13-7-2-1-3-8-13/h12H,1-9H2,(H,14,15)
InChIKeyREMZFVXTLMNQLW-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.68
Rot. Bonds3

About 2-(piperidin-1-ylmethyl)pyrrolidine-2-carboxylic acid

2-(piperidin-1-ylmethyl)pyrrolidine-2-carboxylic acid (PubChem CID 117272111) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)pyrrolidine-2-carboxylic acid
PubChem CID117272111
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(piperidin-1-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1(CN2CCCCC2)CCCN1
InChIInChI=1S/C11H20N2O2/c14-10(15)11(5-4-6-12-11)9-13-7-2-1-3-8-13/h12H,1-9H2,(H,14,15)
InChIKeyREMZFVXTLMNQLW-UHFFFAOYSA-N
XLogP0.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-prop-2-ynylpyrrolidine-2-carboxylic acid;hydrochloride
CID 53398204
methyl 2-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-2-carboxylate
CID 117272108
1-(piperidin-1-ylmethyl)cyclobutane-1-carboxylic acid
CID 83831372
2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid
CID 115103385
2-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 115103189
2-(2-methylprop-2-enyl)pyrrolidine-2-carboxylic acid
CID 83080312
piperidin-1-yl-(2-propylpyrrolidin-2-yl)methanone
CID 106974101
(2R)-2-piperidin-1-ylpyrrolidine-2-carboxylic acid
CID 122588259
2-(oxiran-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 11997713
2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid
CID 83080746
2-[(E)-but-2-enyl]pyrrolidine-2-carboxylic acid
CID 115563173
(2S)-2-propylpiperidine-2-carboxylic acid
CID 101384273

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-(piperidin-1-ylmethyl)pyrrolidine-2-carboxylic acid (CID 117272111) is 2-(piperidin-1-ylmethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-(piperidin-1-ylmethyl)pyrrolidine-2-carboxylic acid is O=C(O)C1(CN2CCCCC2)CCCN1.
What is the InChIKey of 2-(piperidin-1-ylmethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is REMZFVXTLMNQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-10(15)11(5-4-6-12-11)9-13-7-2-1-3-8-13/h12H,1-9H2,(H,14,15).
What are the key properties of 2-(piperidin-1-ylmethyl)pyrrolidine-2-carboxylic acid?
2-(piperidin-1-ylmethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 117272111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).