2-[(4-hydroxy-3,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]acetic acid

C14H21NO4 — CID 65067154

IUPAC2-[(4-hydroxy-3,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)Cc1cc(C)c(O)c(C)c1
InChIInChI=1S/C14H21NO4/c1-10-6-12(7-11(2)14(10)18)8-15(4-5-19-3)9-13(16)17/h6-7,18H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyDRTGMWBVPYIMFS-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.54
Rot. Bonds7

About 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]acetic acid

2-[(4-hydroxy-3,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 65067154) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-3,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
PubChem CID65067154
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[(4-hydroxy-3,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)Cc1cc(C)c(O)c(C)c1
InChIInChI=1S/C14H21NO4/c1-10-6-12(7-11(2)14(10)18)8-15(4-5-19-3)9-13(16)17/h6-7,18H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyDRTGMWBVPYIMFS-UHFFFAOYSA-N
XLogP1.54
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[ethyl(2-methoxyethyl)amino]methyl]-2,6-dimethylphenol
CID 82986228
2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 54968853
2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39379496
2-[(4-bromo-3-fluorophenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 81441647
2-[benzyl(4-methoxybutyl)amino]acetic acid
CID 119134936
2-[(5-fluoro-2-hydroxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 107701809
4-(diethylaminomethyl)-2,6-dimethylphenol
CID 15576438
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-propylamino]-N-methylacetamide
CID 82986749
2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-(2-methoxyethyl)amino]acetic acid
CID 65067251
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39382765
2-[(4,5-dibromothiophen-2-yl)methyl-(2-methoxyethyl)amino]acetic acid
CID 102845098
2-[2-methoxyethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid
CID 65067451

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]acetic acid (CID 65067154) is 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)Cc1cc(C)c(O)c(C)c1.
What is the InChIKey of 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is DRTGMWBVPYIMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10-6-12(7-11(2)14(10)18)8-15(4-5-19-3)9-13(16)17/h6-7,18H,4-5,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]acetic acid?
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 267.32 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 65067154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).