2-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl-[2-(oxan-2-yloxy)ethyl]amino]acetic acid

C19H36N2O5 — CID 163833946

IUPAC2-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl-[2-(oxan-2-yloxy)ethyl]amino]acetic acid
SMILESCC1CCN(CCOCCN(CCOC2CCCCO2)CC(=O)O)CC1
InChIInChI=1S/C19H36N2O5/c1-17-5-7-20(8-6-17)9-13-24-14-10-21(16-18(22)23)11-15-26-19-4-2-3-12-25-19/h17,19H,2-16H2,1H3,(H,22,23)
InChIKeyDLJREODLVQEWPZ-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.66
Rot. Bonds12

About 2-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl-[2-(oxan-2-yloxy)ethyl]amino]acetic acid

2-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl-[2-(oxan-2-yloxy)ethyl]amino]acetic acid (PubChem CID 163833946) has the molecular formula C19H36N2O5 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl-[2-(oxan-2-yloxy)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl-[2-(oxan-2-yloxy)ethyl]amino]acetic acid
PubChem CID163833946
Molecular FormulaC19H36N2O5
Molecular Weight372.51 g/mol
Exact Mass372.26
IUPAC Name2-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl-[2-(oxan-2-yloxy)ethyl]amino]acetic acid
SMILESCC1CCN(CCOCCN(CCOC2CCCCO2)CC(=O)O)CC1
InChIInChI=1S/C19H36N2O5/c1-17-5-7-20(8-6-17)9-13-24-14-10-21(16-18(22)23)11-15-26-19-4-2-3-12-25-19/h17,19H,2-16H2,1H3,(H,22,23)
InChIKeyDLJREODLVQEWPZ-UHFFFAOYSA-N
XLogP1.66
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(4-methylpiperidin-1-yl)pentoxy]acetic acid
CID 163629544
benzyl N-[1-[2-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethyl]-[2-(oxan-2-yloxy)ethyl]amino]ethoxy]ethyl]piperidin-4-yl]-N-methylcarbamate
CID 166715142
2,2-dimethoxy-1-[4-[2-[(2R)-oxan-2-yl]oxyethyl]piperazin-1-yl]ethanone
CID 164633078
2-[4-[2-(oxan-2-yloxy)ethyl]-1,4-diazepan-1-yl]ethanol
CID 63312916
2-[2-(oxan-2-yloxy)ethylsulfanyl]acetic acid
CID 61369469
N-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-amine
CID 115300577
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
14-(oxan-2-yloxy)tetradecanoic acid
CID 54500619
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-(3-methylpentan-3-yl)-2-[2-(oxan-2-yloxy)ethyl]propanedioic acid
CID 70573615
[(3R)-3-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-3-yl]methanol
CID 124863525
2-[2-hydroxyethyl(methyl)amino]ethanol;2-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]ethanol
CID 68855298

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl-[2-(oxan-2-yloxy)ethyl]amino]acetic acid?
The IUPAC name of 2-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl-[2-(oxan-2-yloxy)ethyl]amino]acetic acid (CID 163833946) is 2-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl-[2-(oxan-2-yloxy)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl-[2-(oxan-2-yloxy)ethyl]amino]acetic acid?
The canonical SMILES for 2-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl-[2-(oxan-2-yloxy)ethyl]amino]acetic acid is CC1CCN(CCOCCN(CCOC2CCCCO2)CC(=O)O)CC1.
What is the InChIKey of 2-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl-[2-(oxan-2-yloxy)ethyl]amino]acetic acid?
The InChIKey is DLJREODLVQEWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O5/c1-17-5-7-20(8-6-17)9-13-24-14-10-21(16-18(22)23)11-15-26-19-4-2-3-12-25-19/h17,19H,2-16H2,1H3,(H,22,23).
What are the key properties of 2-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl-[2-(oxan-2-yloxy)ethyl]amino]acetic acid?
2-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl-[2-(oxan-2-yloxy)ethyl]amino]acetic acid has a molecular weight of 372.51 g/mol, XLogP of 1.66, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl-[2-(oxan-2-yloxy)ethyl]amino]acetic acid is sourced from PubChem (CID 163833946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).