(2S)-2-[4-(ethoxymethyl)piperidin-1-yl]propanoic acid

C11H21NO3 — CID 129354224

IUPAC(2S)-2-[4-(ethoxymethyl)piperidin-1-yl]propanoic acid
SMILESCCOCC1CCN([C@@H](C)C(=O)O)CC1
InChIInChI=1S/C11H21NO3/c1-3-15-8-10-4-6-12(7-5-10)9(2)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyJYMWZQJSAVRVCX-VIFPVBQESA-N
MW215.29 g/mol
LogP1.21
Rot. Bonds5

About (2S)-2-[4-(ethoxymethyl)piperidin-1-yl]propanoic acid

(2S)-2-[4-(ethoxymethyl)piperidin-1-yl]propanoic acid (PubChem CID 129354224) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (2S)-2-[4-(ethoxymethyl)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[4-(ethoxymethyl)piperidin-1-yl]propanoic acid
PubChem CID129354224
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(2S)-2-[4-(ethoxymethyl)piperidin-1-yl]propanoic acid
SMILESCCOCC1CCN([C@@H](C)C(=O)O)CC1
InChIInChI=1S/C11H21NO3/c1-3-15-8-10-4-6-12(7-5-10)9(2)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyJYMWZQJSAVRVCX-VIFPVBQESA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-(ethoxymethyl)piperidin-1-yl]propanoic acid
CID 129354223
1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 148686570
4-[4-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 121201395
2-chloro-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 121201391
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid
CID 119134803
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid
CID 94396893
4-(butoxymethyl)-1-propan-2-ylpiperidine
CID 176984206
2-[4-(3-methylbutoxy)piperidin-1-yl]propanoic acid
CID 119134737
3-(ethoxymethyl)-1-propan-2-ylazetidine
CID 89024945
2-[4-[2-ethoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 81058100
(2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid
CID 129413747

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(ethoxymethyl)piperidin-1-yl]propanoic acid?
The IUPAC name of (2S)-2-[4-(ethoxymethyl)piperidin-1-yl]propanoic acid (CID 129354224) is (2S)-2-[4-(ethoxymethyl)piperidin-1-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[4-(ethoxymethyl)piperidin-1-yl]propanoic acid?
The canonical SMILES for (2S)-2-[4-(ethoxymethyl)piperidin-1-yl]propanoic acid is CCOCC1CCN([C@@H](C)C(=O)O)CC1.
What is the InChIKey of (2S)-2-[4-(ethoxymethyl)piperidin-1-yl]propanoic acid?
The InChIKey is JYMWZQJSAVRVCX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-15-8-10-4-6-12(7-5-10)9(2)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-[4-(ethoxymethyl)piperidin-1-yl]propanoic acid?
(2S)-2-[4-(ethoxymethyl)piperidin-1-yl]propanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(ethoxymethyl)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 129354224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).