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

C9H15NO3 — CID 83906915

IUPAC2-(2-hydroxy-1,3,5,6,7,8-hexahydropyrrolizin-2-yl)acetic acid
SMILESO=C(O)CC1(O)CC2CCCN2C1
InChIInChI=1S/C9H15NO3/c11-8(12)5-9(13)4-7-2-1-3-10(7)6-9/h7,13H,1-6H2,(H,11,12)
InChIKeyQFUFVACKTKHXPJ-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.06
Rot. Bonds2

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

2-(2-hydroxy-1,3,5,6,7,8-hexahydropyrrolizin-2-yl)acetic acid (PubChem CID 83906915) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(2-hydroxy-1,3,5,6,7,8-hexahydropyrrolizin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2-hydroxy-1,3,5,6,7,8-hexahydropyrrolizin-2-yl)acetic acid
PubChem CID83906915
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-(2-hydroxy-1,3,5,6,7,8-hexahydropyrrolizin-2-yl)acetic acid
SMILESO=C(O)CC1(O)CC2CCCN2C1
InChIInChI=1S/C9H15NO3/c11-8(12)5-9(13)4-7-2-1-3-10(7)6-9/h7,13H,1-6H2,(H,11,12)
InChIKeyQFUFVACKTKHXPJ-UHFFFAOYSA-N
XLogP0.06
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-propan-2-yl-1,3,5,6,7,8-hexahydropyrrolizin-2-ol
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CID 83909842
3-(aminomethyl)-1-cyclobutylpyrrolidin-3-ol
CID 115013788
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3-(1-cyclooctylpiperidin-3-yl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-1,3,5,6,7,8-hexahydropyrrolizin-2-yl)acetic acid?
The IUPAC name of 2-(2-hydroxy-1,3,5,6,7,8-hexahydropyrrolizin-2-yl)acetic acid (CID 83906915) is 2-(2-hydroxy-1,3,5,6,7,8-hexahydropyrrolizin-2-yl)acetic acid.
What is the SMILES notation for 2-(2-hydroxy-1,3,5,6,7,8-hexahydropyrrolizin-2-yl)acetic acid?
The canonical SMILES for 2-(2-hydroxy-1,3,5,6,7,8-hexahydropyrrolizin-2-yl)acetic acid is O=C(O)CC1(O)CC2CCCN2C1.
What is the InChIKey of 2-(2-hydroxy-1,3,5,6,7,8-hexahydropyrrolizin-2-yl)acetic acid?
The InChIKey is QFUFVACKTKHXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-8(12)5-9(13)4-7-2-1-3-10(7)6-9/h7,13H,1-6H2,(H,11,12).
What are the key properties of 2-(2-hydroxy-1,3,5,6,7,8-hexahydropyrrolizin-2-yl)acetic acid?
2-(2-hydroxy-1,3,5,6,7,8-hexahydropyrrolizin-2-yl)acetic acid has a molecular weight of 185.22 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-1,3,5,6,7,8-hexahydropyrrolizin-2-yl)acetic acid is sourced from PubChem (CID 83906915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).