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

C9H15NO2 — CID 10678716

IUPAC2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid
SMILESO=C(O)CC12CCCN1CCC2
InChIInChI=1S/C9H15NO2/c11-8(12)7-9-3-1-5-10(9)6-2-4-9/h1-7H2,(H,11,12)
InChIKeyVNCIGXSNWMPXKF-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.09
Rot. Bonds2

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

2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid (PubChem CID 10678716) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid.

Molecular Properties

Compound Name2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid
PubChem CID10678716
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid
SMILESO=C(O)CC12CCCN1CCC2
InChIInChI=1S/C9H15NO2/c11-8(12)7-9-3-1-5-10(9)6-2-4-9/h1-7H2,(H,11,12)
InChIKeyVNCIGXSNWMPXKF-UHFFFAOYSA-N
XLogP1.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.09
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?
The IUPAC name of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid (CID 10678716) is 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid.
What is the SMILES notation for 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid?
The canonical SMILES for 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid is O=C(O)CC12CCCN1CCC2.
What is the InChIKey of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid?
The InChIKey is VNCIGXSNWMPXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-8(12)7-9-3-1-5-10(9)6-2-4-9/h1-7H2,(H,11,12).
What are the key properties of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid?
2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid has a molecular weight of 169.22 g/mol, XLogP of 1.09, 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 is sourced from PubChem (CID 10678716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).