2-(3-ethoxypiperidin-1-yl)-3-methoxypropanoic acid

C11H21NO4 — CID 103224650

IUPAC2-(3-ethoxypiperidin-1-yl)-3-methoxypropanoic acid
SMILESCCOC1CCCN(C(COC)C(=O)O)C1
InChIInChI=1S/C11H21NO4/c1-3-16-9-5-4-6-12(7-9)10(8-15-2)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyISHLIKVQHSDFBA-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.59
Rot. Bonds6

About 2-(3-ethoxypiperidin-1-yl)-3-methoxypropanoic acid

2-(3-ethoxypiperidin-1-yl)-3-methoxypropanoic acid (PubChem CID 103224650) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(3-ethoxypiperidin-1-yl)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(3-ethoxypiperidin-1-yl)-3-methoxypropanoic acid
PubChem CID103224650
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-(3-ethoxypiperidin-1-yl)-3-methoxypropanoic acid
SMILESCCOC1CCCN(C(COC)C(=O)O)C1
InChIInChI=1S/C11H21NO4/c1-3-16-9-5-4-6-12(7-9)10(8-15-2)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyISHLIKVQHSDFBA-UHFFFAOYSA-N
XLogP0.59
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(3-ethoxypiperidin-1-yl)propanoic acid
CID 64696034
3-methoxy-2-(3-methylpyrrolidin-1-yl)propanoic acid
CID 103224568
2-(3-ethoxypiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine
CID 116501687
3-methoxy-2-(4-methoxypiperidin-1-yl)propanoic acid
CID 103224529
3-ethoxy-1-pentan-3-ylpiperidine
CID 173298981
(2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid
CID 129414278
2-(3,3-dimethylpiperidin-1-yl)-3-methoxypropanoic acid
CID 103224775
(2S)-2-[(3R)-3-(3-methylbutoxy)pyrrolidin-1-yl]butanoic acid
CID 124725723
2-(3-ethoxypiperidin-1-yl)-2-phenylacetamide
CID 47411464
5-[1-(3-ethoxypiperidin-1-yl)ethyl]furan-2-carboxylic acid
CID 79090059
3-(3-ethoxypiperidin-1-yl)butanehydrazide
CID 63578982
2-(4-cyclopropylpiperazin-1-yl)-3-methoxypropanoic acid
CID 103224616

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypiperidin-1-yl)-3-methoxypropanoic acid?
The IUPAC name of 2-(3-ethoxypiperidin-1-yl)-3-methoxypropanoic acid (CID 103224650) is 2-(3-ethoxypiperidin-1-yl)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(3-ethoxypiperidin-1-yl)-3-methoxypropanoic acid?
The canonical SMILES for 2-(3-ethoxypiperidin-1-yl)-3-methoxypropanoic acid is CCOC1CCCN(C(COC)C(=O)O)C1.
What is the InChIKey of 2-(3-ethoxypiperidin-1-yl)-3-methoxypropanoic acid?
The InChIKey is ISHLIKVQHSDFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-3-16-9-5-4-6-12(7-9)10(8-15-2)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-(3-ethoxypiperidin-1-yl)-3-methoxypropanoic acid?
2-(3-ethoxypiperidin-1-yl)-3-methoxypropanoic acid has a molecular weight of 231.29 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypiperidin-1-yl)-3-methoxypropanoic acid is sourced from PubChem (CID 103224650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).