3-[(2R)-2-(ethoxymethyl)piperidin-1-yl]propanoic acid

C11H21NO3 — CID 129323089

IUPAC3-[(2R)-2-(ethoxymethyl)piperidin-1-yl]propanoic acid
SMILESCCOC[C@H]1CCCCN1CCC(=O)O
InChIInChI=1S/C11H21NO3/c1-2-15-9-10-5-3-4-7-12(10)8-6-11(13)14/h10H,2-9H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyCCLRDUSITDUKCV-SNVBAGLBSA-N
MW215.29 g/mol
LogP1.35
Rot. Bonds6

About 3-[(2R)-2-(ethoxymethyl)piperidin-1-yl]propanoic acid

3-[(2R)-2-(ethoxymethyl)piperidin-1-yl]propanoic acid (PubChem CID 129323089) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[(2R)-2-(ethoxymethyl)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-2-(ethoxymethyl)piperidin-1-yl]propanoic acid
PubChem CID129323089
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-[(2R)-2-(ethoxymethyl)piperidin-1-yl]propanoic acid
SMILESCCOC[C@H]1CCCCN1CCC(=O)O
InChIInChI=1S/C11H21NO3/c1-2-15-9-10-5-3-4-7-12(10)8-6-11(13)14/h10H,2-9H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyCCLRDUSITDUKCV-SNVBAGLBSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-2-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 129323090
1-(2-ethoxyethyl)-2-(ethoxymethyl)piperidine
CID 121012447
3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propanoic acid
CID 94161350
2-[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]ethanol
CID 129495167
3-[(2R)-2-(ethoxymethyl)piperidin-1-yl]propan-1-amine
CID 129323114
3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]propanoic acid
CID 29295033
3-[2-(2-methylpropyl)azepan-1-yl]propanoic acid
CID 119137915
3-[2-(3-methylbutyl)piperidin-1-yl]propanoic acid
CID 119994332
3-amino-1-[(2S)-2-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129323138
ethane;16-[2-(ethoxymethyl)pyrrolidin-1-yl]-16-oxohexadecanoic acid
CID 156738231
3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid
CID 170367402
3-[1-(2-ethoxyacetyl)piperidin-2-yl]propanoic acid
CID 62217281

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(ethoxymethyl)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[(2R)-2-(ethoxymethyl)piperidin-1-yl]propanoic acid (CID 129323089) is 3-[(2R)-2-(ethoxymethyl)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-2-(ethoxymethyl)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-2-(ethoxymethyl)piperidin-1-yl]propanoic acid is CCOC[C@H]1CCCCN1CCC(=O)O.
What is the InChIKey of 3-[(2R)-2-(ethoxymethyl)piperidin-1-yl]propanoic acid?
The InChIKey is CCLRDUSITDUKCV-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-15-9-10-5-3-4-7-12(10)8-6-11(13)14/h10H,2-9H2,1H3,(H,13,14)/t10-/m1/s1.
What are the key properties of 3-[(2R)-2-(ethoxymethyl)piperidin-1-yl]propanoic acid?
3-[(2R)-2-(ethoxymethyl)piperidin-1-yl]propanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(ethoxymethyl)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 129323089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).