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

C14H21NO5 — CID 39382765

IUPAC2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)Cc1cc(OC)ccc1OC
InChIInChI=1S/C14H21NO5/c1-18-7-6-15(10-14(16)17)9-11-8-12(19-2)4-5-13(11)20-3/h4-5,8H,6-7,9-10H2,1-3H3,(H,16,17)
InChIKeyGWSBETPPEWZNNE-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.24
Rot. Bonds9

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

2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 39382765) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
PubChem CID39382765
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)Cc1cc(OC)ccc1OC
InChIInChI=1S/C14H21NO5/c1-18-7-6-15(10-14(16)17)9-11-8-12(19-2)4-5-13(11)20-3/h4-5,8H,6-7,9-10H2,1-3H3,(H,16,17)
InChIKeyGWSBETPPEWZNNE-UHFFFAOYSA-N
XLogP1.24
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol
CID 115613643
2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]acetic acid
CID 39364528
2-[(5-fluoro-2-hydroxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 107701809
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid
CID 94270324
2-[1-(2,5-dimethoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid
CID 65067105
2-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]acetamide
CID 56815803
2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid
CID 54900678
2-[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39366056
2-[(2,5-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 8683962
2-[2-methoxyethyl-[(2-prop-2-enylphenyl)methyl]amino]acetic acid
CID 167917208
3-[tert-butyl-[(2,5-dimethoxyphenyl)methyl]amino]propanoic acid
CID 60833669
methyl 3-[(2-bromo-5-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 115536450

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid (CID 39382765) is 2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)Cc1cc(OC)ccc1OC.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is GWSBETPPEWZNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-18-7-6-15(10-14(16)17)9-11-8-12(19-2)4-5-13(11)20-3/h4-5,8H,6-7,9-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid?
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 283.32 g/mol, XLogP of 1.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 39382765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).