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

C9H16ClNO2 — CID 45358349

IUPAC2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CC12CCCN1CCC2
InChIInChI=1S/C9H15NO2.ClH/c11-8(12)7-9-3-1-5-10(9)6-2-4-9;/h1-7H2,(H,11,12);1H
InChIKeyXEZNJLFXMUJHTN-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.51
Rot. Bonds2

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

2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid;hydrochloride (PubChem CID 45358349) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid;hydrochloride
PubChem CID45358349
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CC12CCCN1CCC2
InChIInChI=1S/C9H15NO2.ClH/c11-8(12)7-9-3-1-5-10(9)6-2-4-9;/h1-7H2,(H,11,12);1H
InChIKeyXEZNJLFXMUJHTN-UHFFFAOYSA-N
XLogP1.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid;hydrochloride (CID 45358349) is 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid;hydrochloride is Cl.O=C(O)CC12CCCN1CCC2.
What is the InChIKey of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid;hydrochloride?
The InChIKey is XEZNJLFXMUJHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c11-8(12)7-9-3-1-5-10(9)6-2-4-9;/h1-7H2,(H,11,12);1H.
What are the key properties of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid;hydrochloride?
2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid;hydrochloride has a molecular weight of 205.68 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid;hydrochloride is sourced from PubChem (CID 45358349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).