2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid

C14H21NO5 — CID 65067506

IUPAC2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C14H21NO5/c1-10(15(6-7-19-2)9-14(17)18)11-4-5-12(16)13(8-11)20-3/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,17,18)
InChIKeySEHLHJFCOLXCEE-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.49
Rot. Bonds8

About 2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid

2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 65067506) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid
PubChem CID65067506
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C14H21NO5/c1-10(15(6-7-19-2)9-14(17)18)11-4-5-12(16)13(8-11)20-3/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,17,18)
InChIKeySEHLHJFCOLXCEE-UHFFFAOYSA-N
XLogP1.49
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
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-[butyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetamide
CID 82978340
2-[cyclopentyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid
CID 65058654
4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol
CID 82981648
2-[1-(2,5-dimethoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid
CID 65067105
3-[cyclopropyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanoic acid
CID 65059099
4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol
CID 102999085
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-2-methoxyphenol
CID 82986315
N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]acetamide
CID 82978392
2-methoxy-4-[1-(2-methoxyethoxyamino)ethyl]phenol
CID 82714303
4-[1-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-methoxyphenol
CID 82981884
3-[1-(3,4-dimethoxyphenyl)ethyl-methylamino]propanoic acid
CID 2902334

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid (CID 65067506) is 2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(C)c1ccc(O)c(OC)c1.
What is the InChIKey of 2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is SEHLHJFCOLXCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-10(15(6-7-19-2)9-14(17)18)11-4-5-12(16)13(8-11)20-3/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid?
2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 283.32 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 65067506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).