6-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)piperidine-2-carboxylic acid

C14H20N2O2 — CID 82383334

IUPAC6-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)piperidine-2-carboxylic acid
SMILESCc1cc(C2CCCC(C(=O)O)N2)n2c1CCC2
InChIInChI=1S/C14H20N2O2/c1-9-8-13(16-7-3-6-12(9)16)10-4-2-5-11(15-10)14(17)18/h8,10-11,15H,2-7H2,1H3,(H,17,18)
InChIKeyVFKQGIBRAZGZFO-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.01
Rot. Bonds2

About 6-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)piperidine-2-carboxylic acid

6-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)piperidine-2-carboxylic acid (PubChem CID 82383334) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)piperidine-2-carboxylic acid
PubChem CID82383334
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name6-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)piperidine-2-carboxylic acid
SMILESCc1cc(C2CCCC(C(=O)O)N2)n2c1CCC2
InChIInChI=1S/C14H20N2O2/c1-9-8-13(16-7-3-6-12(9)16)10-4-2-5-11(15-10)14(17)18/h8,10-11,15H,2-7H2,1H3,(H,17,18)
InChIKeyVFKQGIBRAZGZFO-UHFFFAOYSA-N
XLogP2.01
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)piperidine-2-carboxylic acid?
The IUPAC name of 6-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)piperidine-2-carboxylic acid (CID 82383334) is 6-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 6-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 6-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)piperidine-2-carboxylic acid is Cc1cc(C2CCCC(C(=O)O)N2)n2c1CCC2.
What is the InChIKey of 6-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)piperidine-2-carboxylic acid?
The InChIKey is VFKQGIBRAZGZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-8-13(16-7-3-6-12(9)16)10-4-2-5-11(15-10)14(17)18/h8,10-11,15H,2-7H2,1H3,(H,17,18).
What are the key properties of 6-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)piperidine-2-carboxylic acid?
6-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)piperidine-2-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 82383334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).