(3S)-3-[2-(2-hydroxyethoxy)ethoxymethyl]piperidine-1-carboxylic acid

C11H21NO5 — CID 155071696

IUPAC(3S)-3-[2-(2-hydroxyethoxy)ethoxymethyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@H](COCCOCCO)C1
InChIInChI=1S/C11H21NO5/c13-4-5-16-6-7-17-9-10-2-1-3-12(8-10)11(14)15/h10,13H,1-9H2,(H,14,15)/t10-/m0/s1
InChIKeyLDFYLTBUVBPXRE-JTQLQIEISA-N
MW247.29 g/mol
LogP0.40
Rot. Bonds7

About (3S)-3-[2-(2-hydroxyethoxy)ethoxymethyl]piperidine-1-carboxylic acid

(3S)-3-[2-(2-hydroxyethoxy)ethoxymethyl]piperidine-1-carboxylic acid (PubChem CID 155071696) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is (3S)-3-[2-(2-hydroxyethoxy)ethoxymethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-[2-(2-hydroxyethoxy)ethoxymethyl]piperidine-1-carboxylic acid
PubChem CID155071696
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name(3S)-3-[2-(2-hydroxyethoxy)ethoxymethyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@H](COCCOCCO)C1
InChIInChI=1S/C11H21NO5/c13-4-5-16-6-7-17-9-10-2-1-3-12(8-10)11(14)15/h10,13H,1-9H2,(H,14,15)/t10-/m0/s1
InChIKeyLDFYLTBUVBPXRE-JTQLQIEISA-N
XLogP0.40
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
2-[2-[2-[2-(cyclohexylmethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 142615958
3-(bromomethyl)piperidine-1-carboxylic acid
CID 57165302
3-(butanoyloxymethyl)piperidine-1-carboxylic acid
CID 19081025
2-[[(3R)-1-acetylpiperidin-3-yl]methoxy]acetic acid
CID 96885372
tert-butyl 3-(2-hydroxyethoxymethyl)pyrrolidine-1-carboxylate
CID 66563815
(3R)-3-(3-phenylpropoxymethyl)pyrrolidine-1-carboxylic acid
CID 68612024
3-(ethylaminomethyl)piperidine-1-carboxylic acid
CID 146302928
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
tert-butyl 3-[(3-methoxy-3-oxopropoxy)methyl]piperidine-1-carboxylate
CID 83211000
2-(2-methoxyethoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 113265212
methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 121340788

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(2-hydroxyethoxy)ethoxymethyl]piperidine-1-carboxylic acid?
The IUPAC name of (3S)-3-[2-(2-hydroxyethoxy)ethoxymethyl]piperidine-1-carboxylic acid (CID 155071696) is (3S)-3-[2-(2-hydroxyethoxy)ethoxymethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-[2-(2-hydroxyethoxy)ethoxymethyl]piperidine-1-carboxylic acid?
The canonical SMILES for (3S)-3-[2-(2-hydroxyethoxy)ethoxymethyl]piperidine-1-carboxylic acid is O=C(O)N1CCC[C@H](COCCOCCO)C1.
What is the InChIKey of (3S)-3-[2-(2-hydroxyethoxy)ethoxymethyl]piperidine-1-carboxylic acid?
The InChIKey is LDFYLTBUVBPXRE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO5/c13-4-5-16-6-7-17-9-10-2-1-3-12(8-10)11(14)15/h10,13H,1-9H2,(H,14,15)/t10-/m0/s1.
What are the key properties of (3S)-3-[2-(2-hydroxyethoxy)ethoxymethyl]piperidine-1-carboxylic acid?
(3S)-3-[2-(2-hydroxyethoxy)ethoxymethyl]piperidine-1-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(2-hydroxyethoxy)ethoxymethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 155071696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).