2-ethoxy-3-piperidin-1-ylpropanoic acid

C10H19NO3 — CID 63068223

IUPAC2-ethoxy-3-piperidin-1-ylpropanoic acid
SMILESCCOC(CN1CCCCC1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-2-14-9(10(12)13)8-11-6-4-3-5-7-11/h9H,2-8H2,1H3,(H,12,13)
InChIKeyHEQPAXZGRPTNGE-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.96
Rot. Bonds5

About 2-ethoxy-3-piperidin-1-ylpropanoic acid

2-ethoxy-3-piperidin-1-ylpropanoic acid (PubChem CID 63068223) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-ethoxy-3-piperidin-1-ylpropanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-piperidin-1-ylpropanoic acid
PubChem CID63068223
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-ethoxy-3-piperidin-1-ylpropanoic acid
SMILESCCOC(CN1CCCCC1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-2-14-9(10(12)13)8-11-6-4-3-5-7-11/h9H,2-8H2,1H3,(H,12,13)
InChIKeyHEQPAXZGRPTNGE-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-3-(1,4-oxazepan-4-yl)propanoic acid
CID 63073024
2-ethoxy-3-(4-methylsulfonylpiperazin-1-yl)propanoic acid
CID 63074930
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethoxypropanoic acid
CID 79924761
2-ethoxy-3-(2-methylpiperidin-1-yl)propanoic acid
CID 63069094
2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid
CID 63620539
2-(2-methylprop-2-enoyloxy)-3-pyrrolidin-1-ylpropanoic acid
CID 174585255
2-ethoxy-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanoic acid
CID 63067892
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-ethoxypropanoic acid
CID 82751983
(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid
CID 51704154
3-(azocan-1-yl)-2-hydroxypropanoic acid
CID 130593606
2-(azepan-1-ylmethyl)-3,3-dimethylbutanoic acid
CID 117242461
ethyl 4-(azocan-1-yl)-3-hydroxybutanoate
CID 82777815

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-piperidin-1-ylpropanoic acid?
The IUPAC name of 2-ethoxy-3-piperidin-1-ylpropanoic acid (CID 63068223) is 2-ethoxy-3-piperidin-1-ylpropanoic acid.
What is the SMILES notation for 2-ethoxy-3-piperidin-1-ylpropanoic acid?
The canonical SMILES for 2-ethoxy-3-piperidin-1-ylpropanoic acid is CCOC(CN1CCCCC1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-piperidin-1-ylpropanoic acid?
The InChIKey is HEQPAXZGRPTNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-14-9(10(12)13)8-11-6-4-3-5-7-11/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-ethoxy-3-piperidin-1-ylpropanoic acid?
2-ethoxy-3-piperidin-1-ylpropanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-piperidin-1-ylpropanoic acid is sourced from PubChem (CID 63068223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).