2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid

C8H15NO3 — CID 80503158

IUPAC2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid
SMILESCN1CCCC(O)(CC(=O)O)C1
InChIInChI=1S/C8H15NO3/c1-9-4-2-3-8(12,6-9)5-7(10)11/h12H,2-6H2,1H3,(H,10,11)
InChIKeyFWOVYNFWJBGWPS-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.08
Rot. Bonds2

About 2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid

2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid (PubChem CID 80503158) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid
PubChem CID80503158
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid
SMILESCN1CCCC(O)(CC(=O)O)C1
InChIInChI=1S/C8H15NO3/c1-9-4-2-3-8(12,6-9)5-7(10)11/h12H,2-6H2,1H3,(H,10,11)
InChIKeyFWOVYNFWJBGWPS-UHFFFAOYSA-N
XLogP-0.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid?
The IUPAC name of 2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid (CID 80503158) is 2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid.
What is the SMILES notation for 2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid?
The canonical SMILES for 2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid is CN1CCCC(O)(CC(=O)O)C1.
What is the InChIKey of 2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid?
The InChIKey is FWOVYNFWJBGWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-9-4-2-3-8(12,6-9)5-7(10)11/h12H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid?
2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid has a molecular weight of 173.21 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid is sourced from PubChem (CID 80503158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).