6-(5,6,7,8-tetrahydroindolizin-2-yl)piperidine-2-carboxylic acid

C14H20N2O2 — CID 82383336

IUPAC6-(5,6,7,8-tetrahydroindolizin-2-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCC(c2cc3n(c2)CCCC3)N1
InChIInChI=1S/C14H20N2O2/c17-14(18)13-6-3-5-12(15-13)10-8-11-4-1-2-7-16(11)9-10/h8-9,12-13,15H,1-7H2,(H,17,18)
InChIKeyYTLUEOVEYBCCHW-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.09
Rot. Bonds2

About 6-(5,6,7,8-tetrahydroindolizin-2-yl)piperidine-2-carboxylic acid

6-(5,6,7,8-tetrahydroindolizin-2-yl)piperidine-2-carboxylic acid (PubChem CID 82383336) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-(5,6,7,8-tetrahydroindolizin-2-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-(5,6,7,8-tetrahydroindolizin-2-yl)piperidine-2-carboxylic acid
PubChem CID82383336
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name6-(5,6,7,8-tetrahydroindolizin-2-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCC(c2cc3n(c2)CCCC3)N1
InChIInChI=1S/C14H20N2O2/c17-14(18)13-6-3-5-12(15-13)10-8-11-4-1-2-7-16(11)9-10/h8-9,12-13,15H,1-7H2,(H,17,18)
InChIKeyYTLUEOVEYBCCHW-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5,6,7,8-tetrahydroindolizin-2-yl)piperidine-2-carboxylic acid?
The IUPAC name of 6-(5,6,7,8-tetrahydroindolizin-2-yl)piperidine-2-carboxylic acid (CID 82383336) is 6-(5,6,7,8-tetrahydroindolizin-2-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 6-(5,6,7,8-tetrahydroindolizin-2-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 6-(5,6,7,8-tetrahydroindolizin-2-yl)piperidine-2-carboxylic acid is O=C(O)C1CCCC(c2cc3n(c2)CCCC3)N1.
What is the InChIKey of 6-(5,6,7,8-tetrahydroindolizin-2-yl)piperidine-2-carboxylic acid?
The InChIKey is YTLUEOVEYBCCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-14(18)13-6-3-5-12(15-13)10-8-11-4-1-2-7-16(11)9-10/h8-9,12-13,15H,1-7H2,(H,17,18).
What are the key properties of 6-(5,6,7,8-tetrahydroindolizin-2-yl)piperidine-2-carboxylic acid?
6-(5,6,7,8-tetrahydroindolizin-2-yl)piperidine-2-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6,7,8-tetrahydroindolizin-2-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 82383336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).