2-(1-pyrrolidin-1-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetic acid

C13H22N2O2 — CID 82856381

IUPAC2-(1-pyrrolidin-1-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetic acid
SMILESO=C(O)CC1(N2CCCC2)CCN2CCCC21
InChIInChI=1S/C13H22N2O2/c16-12(17)10-13(15-7-1-2-8-15)5-9-14-6-3-4-11(13)14/h11H,1-10H2,(H,16,17)
InChIKeyRBAAMPBEYXZANQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.16
Rot. Bonds3

About 2-(1-pyrrolidin-1-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetic acid

2-(1-pyrrolidin-1-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetic acid (PubChem CID 82856381) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(1-pyrrolidin-1-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(1-pyrrolidin-1-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetic acid
PubChem CID82856381
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(1-pyrrolidin-1-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetic acid
SMILESO=C(O)CC1(N2CCCC2)CCN2CCCC21
InChIInChI=1S/C13H22N2O2/c16-12(17)10-13(15-7-1-2-8-15)5-9-14-6-3-4-11(13)14/h11H,1-10H2,(H,16,17)
InChIKeyRBAAMPBEYXZANQ-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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Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrrolidin-1-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetic acid?
The IUPAC name of 2-(1-pyrrolidin-1-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetic acid (CID 82856381) is 2-(1-pyrrolidin-1-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetic acid.
What is the SMILES notation for 2-(1-pyrrolidin-1-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetic acid?
The canonical SMILES for 2-(1-pyrrolidin-1-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetic acid is O=C(O)CC1(N2CCCC2)CCN2CCCC21.
What is the InChIKey of 2-(1-pyrrolidin-1-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetic acid?
The InChIKey is RBAAMPBEYXZANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-12(17)10-13(15-7-1-2-8-15)5-9-14-6-3-4-11(13)14/h11H,1-10H2,(H,16,17).
What are the key properties of 2-(1-pyrrolidin-1-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetic acid?
2-(1-pyrrolidin-1-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetic 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 2-(1-pyrrolidin-1-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetic acid is sourced from PubChem (CID 82856381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).