2-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid

C13H26N2O3 — CID 54969053

IUPAC2-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid
SMILESCOCCN(CCC1CCCCN1C)CC(=O)O
InChIInChI=1S/C13H26N2O3/c1-14-7-4-3-5-12(14)6-8-15(9-10-18-2)11-13(16)17/h12H,3-11H2,1-2H3,(H,16,17)
InChIKeyNZVVILNUPDMDGC-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.89
Rot. Bonds8

About 2-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid

2-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid (PubChem CID 54969053) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid
PubChem CID54969053
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid
SMILESCOCCN(CCC1CCCCN1C)CC(=O)O
InChIInChI=1S/C13H26N2O3/c1-14-7-4-3-5-12(14)6-8-15(9-10-18-2)11-13(16)17/h12H,3-11H2,1-2H3,(H,16,17)
InChIKeyNZVVILNUPDMDGC-UHFFFAOYSA-N
XLogP0.89
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid
CID 60834292
2-[2-(1-methylpiperidin-2-yl)ethyl-propan-2-ylamino]acetic acid
CID 60838965
methyl 3-[ethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate
CID 62026994
2-[cyclobutylmethyl(2-methoxyethyl)amino]acetic acid
CID 65457394
3-[tert-butyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoic acid
CID 54926001
2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl-(2-methoxyethyl)amino]acetic acid
CID 54969400
2-[1-[2-methoxyethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61428394
ethyl 3-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate
CID 62012811
N-(2-bromoethyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine
CID 107913819
2-[2-methoxyethyl-(1-methylpiperidin-4-yl)amino]acetic acid
CID 65067210
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid
CID 170367402

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid (CID 54969053) is 2-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid is COCCN(CCC1CCCCN1C)CC(=O)O.
What is the InChIKey of 2-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid?
The InChIKey is NZVVILNUPDMDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-14-7-4-3-5-12(14)6-8-15(9-10-18-2)11-13(16)17/h12H,3-11H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid?
2-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid has a molecular weight of 258.36 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid is sourced from PubChem (CID 54969053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).