3-[(2S)-1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]propanoic acid

C17H23NO5 — CID 125148961

IUPAC3-[(2S)-1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]propanoic acid
SMILESCOc1ccccc1OCC(=O)N1CCCC[C@H]1CCC(=O)O
InChIInChI=1S/C17H23NO5/c1-22-14-7-2-3-8-15(14)23-12-16(19)18-11-5-4-6-13(18)9-10-17(20)21/h2-3,7-8,13H,4-6,9-12H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyPQJDATOBUUSOPE-ZDUSSCGKSA-N
MW321.37 g/mol
LogP2.32
Rot. Bonds7

About 3-[(2S)-1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]propanoic acid

3-[(2S)-1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]propanoic acid (PubChem CID 125148961) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is 3-[(2S)-1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2S)-1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]propanoic acid
PubChem CID125148961
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name3-[(2S)-1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]propanoic acid
SMILESCOc1ccccc1OCC(=O)N1CCCC[C@H]1CCC(=O)O
InChIInChI=1S/C17H23NO5/c1-22-14-7-2-3-8-15(14)23-12-16(19)18-11-5-4-6-13(18)9-10-17(20)21/h2-3,7-8,13H,4-6,9-12H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyPQJDATOBUUSOPE-ZDUSSCGKSA-N
XLogP2.32
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 29339333
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone;hydrochloride
CID 119466153
3-[(2S)-1-[2-(4-methylphenoxy)acetyl]piperidin-2-yl]propanoic acid
CID 124696443
3-[[(2S)-1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 95830703
3-[1-(2-ethoxyacetyl)piperidin-2-yl]propanoic acid
CID 62217281
1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone
CID 112977253
tert-butyl 2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]pyrrolidine-1-carboxylate
CID 47088995
1-[2-(hydroxymethyl)azepan-1-yl]-2-(2-methylphenoxy)ethanone
CID 116636020
3-[(2R)-1-[4-(4-methoxyphenyl)butanoyl]piperidin-2-yl]propanoic acid
CID 124686357
2-(2-methoxyphenoxy)-1-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]ethanone
CID 124843390
3-[1-(2-methylsulfanylacetyl)piperidin-2-yl]propanoic acid
CID 62217465
3-[(2S)-1-(2-cyclohexyloxyacetyl)piperidin-2-yl]propanoic acid
CID 124699624

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[(2S)-1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]propanoic acid (CID 125148961) is 3-[(2S)-1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2S)-1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2S)-1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]propanoic acid is COc1ccccc1OCC(=O)N1CCCC[C@H]1CCC(=O)O.
What is the InChIKey of 3-[(2S)-1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]propanoic acid?
The InChIKey is PQJDATOBUUSOPE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23NO5/c1-22-14-7-2-3-8-15(14)23-12-16(19)18-11-5-4-6-13(18)9-10-17(20)21/h2-3,7-8,13H,4-6,9-12H2,1H3,(H,20,21)/t13-/m0/s1.
What are the key properties of 3-[(2S)-1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]propanoic acid?
3-[(2S)-1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]propanoic acid has a molecular weight of 321.37 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 125148961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).