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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Related Compounds

2-(3-fluoro-1-methylpiperidin-3-yl)acetic acid
CID 83816582
tert-butyl 2-(3-hydroxy-1-methylpiperidin-3-yl)acetate
CID 115037342
(3S)-3-ethyl-1-methylpiperidin-3-ol
CID 177186761
2-(1,3-dimethylazepan-3-yl)acetic acid
CID 134365428
(3S)-3-(aminomethyl)-1-methylpiperidin-3-ol
CID 94998579
2-[1-methyl-3-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 83821336
3-[(dimethylamino)methyl]-1-methylpiperidin-3-ol
CID 84731989
2-[1-(4-bromophenyl)-3-hydroxypiperidin-3-yl]acetic acid
CID 117002654
2-[1-[2-(3-hydroxy-1-methylpiperidin-3-yl)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-2-methylpropanoic acid
CID 166275616
2-[1-(2-fluorophenyl)-3-hydroxypiperidin-3-yl]acetic acid
CID 117002649
2-(3-amino-1-methylpiperidin-3-yl)acetamide
CID 83682898
2-(1-methyl-3-morpholin-4-ylpyrrolidin-3-yl)acetic acid
CID 64527345

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).