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

C17H23NO4 — CID 124685255

IUPAC3-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
SMILESCOc1ccccc1CC(=O)N1CCC[C@@H](CCC(=O)O)C1
InChIInChI=1S/C17H23NO4/c1-22-15-7-3-2-6-14(15)11-16(19)18-10-4-5-13(12-18)8-9-17(20)21/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyLYAYQLJNGWMBOG-ZDUSSCGKSA-N
MW305.37 g/mol
LogP2.34
Rot. Bonds6

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

3-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid (PubChem CID 124685255) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
PubChem CID124685255
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name3-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
SMILESCOc1ccccc1CC(=O)N1CCC[C@@H](CCC(=O)O)C1
InChIInChI=1S/C17H23NO4/c1-22-15-7-3-2-6-14(15)11-16(19)18-10-4-5-13(12-18)8-9-17(20)21/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyLYAYQLJNGWMBOG-ZDUSSCGKSA-N
XLogP2.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 63765744
3-[(3S)-1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124686051
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 81469940
3-[(3S)-1-[2-(3-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124688981
2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 175652372
3-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]propanoic acid
CID 124697845
3-[(3S)-1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124688636
3-[(3S)-1-(3-phenoxypropanoyl)piperidin-3-yl]propanoic acid
CID 124700081
2-(2-methoxyphenyl)-1-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]ethanone
CID 95616146
2-(2-methoxyphenyl)-1-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]ethanone
CID 95616147
3-[(3R,4S)-1-[2-(2-methoxyphenyl)acetyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid
CID 72842462
3-[(3R)-1-[3-(3-bromo-4-methoxyphenyl)propanoyl]piperidin-3-yl]propanoic acid
CID 124686233

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid (CID 124685255) is 3-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid is COc1ccccc1CC(=O)N1CCC[C@@H](CCC(=O)O)C1.
What is the InChIKey of 3-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid?
The InChIKey is LYAYQLJNGWMBOG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23NO4/c1-22-15-7-3-2-6-14(15)11-16(19)18-10-4-5-13(12-18)8-9-17(20)21/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,20,21)/t13-/m0/s1.
What are the key properties of 3-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid?
3-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid has a molecular weight of 305.37 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 124685255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).