2-[1-(2,5-dimethoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid

C15H23NO5 — CID 65067105

IUPAC2-[1-(2,5-dimethoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(C)c1cc(OC)ccc1OC
InChIInChI=1S/C15H23NO5/c1-11(16(7-8-19-2)10-15(17)18)13-9-12(20-3)5-6-14(13)21-4/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,18)
InChIKeyQIAYGTOLBOEQDT-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.80
Rot. Bonds9

About 2-[1-(2,5-dimethoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid

2-[1-(2,5-dimethoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 65067105) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[1-(2,5-dimethoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-(2,5-dimethoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid
PubChem CID65067105
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name2-[1-(2,5-dimethoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(C)c1cc(OC)ccc1OC
InChIInChI=1S/C15H23NO5/c1-11(16(7-8-19-2)10-15(17)18)13-9-12(20-3)5-6-14(13)21-4/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,18)
InChIKeyQIAYGTOLBOEQDT-UHFFFAOYSA-N
XLogP1.80
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-hydroxy-5-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid
CID 65067057
2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid
CID 65067506
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39382765
2-[1-(2,5-dimethoxyphenyl)ethoxy]acetic acid
CID 112514494
2-[1-(2-hydroxy-5-methoxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264175
2-[2-(dimethylamino)ethyl-[1-(2-methoxyphenyl)ethyl]amino]acetic acid
CID 107426423
2-[1-(4-bromo-2-chlorophenyl)ethyl-(2-methoxyethyl)amino]acetic acid
CID 82781404
2-[1-(4-bromo-2-fluorophenyl)ethyl-(2-methoxyethyl)amino]acetic acid
CID 82973127
3-[bis(2-methoxyethyl)amino]-1-(2,5-dimethoxyphenyl)propan-1-ol
CID 110830674
2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid
CID 61327016
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
2-[butan-2-yl-[2-(4-methoxyphenoxy)ethyl]amino]acetic acid
CID 60833895

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[1-(2,5-dimethoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid (CID 65067105) is 2-[1-(2,5-dimethoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[1-(2,5-dimethoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[1-(2,5-dimethoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(C)c1cc(OC)ccc1OC.
What is the InChIKey of 2-[1-(2,5-dimethoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is QIAYGTOLBOEQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-11(16(7-8-19-2)10-15(17)18)13-9-12(20-3)5-6-14(13)21-4/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,18).
What are the key properties of 2-[1-(2,5-dimethoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid?
2-[1-(2,5-dimethoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 297.35 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 65067105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).