3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid

C13H23NO6 — CID 63875309

IUPAC3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid
SMILESCOCCOCC(=O)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C13H23NO6/c1-18-8-9-19-10-12(15)14-5-2-11(3-6-14)20-7-4-13(16)17/h11H,2-10H2,1H3,(H,16,17)
InChIKeyZXHGISJLTMZRCM-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.13
Rot. Bonds9

About 3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid

3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid (PubChem CID 63875309) has the molecular formula C13H23NO6 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid
PubChem CID63875309
Molecular FormulaC13H23NO6
Molecular Weight289.33 g/mol
Exact Mass289.15
IUPAC Name3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid
SMILESCOCCOCC(=O)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C13H23NO6/c1-18-8-9-19-10-12(15)14-5-2-11(3-6-14)20-7-4-13(16)17/h11H,2-10H2,1H3,(H,16,17)
InChIKeyZXHGISJLTMZRCM-UHFFFAOYSA-N
XLogP0.13
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 113226406
2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869728
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid
CID 63876085
3-[1-(3-methylsulfonylpropanoyl)piperidin-4-yl]oxypropanoic acid
CID 63876697
3-[1-[2-(ethylamino)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63876082
1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid
CID 103400775
3-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-4-yl]oxypropanoic acid
CID 106991448
1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 103805372
3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63874882
1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenoxyethanone
CID 91918267
1-(azepan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60716245

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid (CID 63875309) is 3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid is COCCOCC(=O)N1CCC(OCCC(=O)O)CC1.
What is the InChIKey of 3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid?
The InChIKey is ZXHGISJLTMZRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO6/c1-18-8-9-19-10-12(15)14-5-2-11(3-6-14)20-7-4-13(16)17/h11H,2-10H2,1H3,(H,16,17).
What are the key properties of 3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid?
3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid has a molecular weight of 289.33 g/mol, XLogP of 0.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 63875309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).