2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid

C15H21NO6 — CID 119197506

IUPAC2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid
SMILESCCOCC(=O)N(CC(=O)O)Cc1cc(OC)cc(OC)c1
InChIInChI=1S/C15H21NO6/c1-4-22-10-14(17)16(9-15(18)19)8-11-5-12(20-2)7-13(6-11)21-3/h5-7H,4,8-10H2,1-3H3,(H,18,19)
InChIKeyMIIBSWFDHUGNBX-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.15
Rot. Bonds9

About 2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid

2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid (PubChem CID 119197506) has the molecular formula C15H21NO6 and a molecular weight of 311.33 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid
PubChem CID119197506
Molecular FormulaC15H21NO6
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid
SMILESCCOCC(=O)N(CC(=O)O)Cc1cc(OC)cc(OC)c1
InChIInChI=1S/C15H21NO6/c1-4-22-10-14(17)16(9-15(18)19)8-11-5-12(20-2)7-13(6-11)21-3/h5-7H,4,8-10H2,1-3H3,(H,18,19)
InChIKeyMIIBSWFDHUGNBX-UHFFFAOYSA-N
XLogP1.15
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid
CID 119197685
2-[(3,5-dimethoxyphenyl)methyl-pent-4-enoylamino]acetic acid
CID 119197558
2-[[2-(butanoylamino)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 119197704
2-[(3,5-dimethoxyphenyl)methyl-(4-phenylbutanoyl)amino]acetic acid
CID 119197642
2-[[2-(2,6-difluorophenyl)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 120518105
2-[(3,5-dimethoxyphenyl)methyl-[3-(1,3-thiazol-2-yl)propanoyl]amino]acetic acid
CID 119197724
2-[(3,5-dimethoxyphenyl)methyl-(3-thiophen-3-ylpropanoyl)amino]acetic acid
CID 119197524
2-[(4,5-diethylfuran-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 120686230
2-[(3,5-dimethoxyphenyl)methyl-[2-(2H-indazol-3-yl)acetyl]amino]acetic acid
CID 119197747
2-[(3,5-dimethoxyphenyl)methyl-[3-(oxolan-2-yl)propanoyl]amino]acetic acid
CID 119197613
2-[(3,5-dimethoxyphenyl)methyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
CID 119197598
2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 119197682

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid (CID 119197506) is 2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid is CCOCC(=O)N(CC(=O)O)Cc1cc(OC)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid?
The InChIKey is MIIBSWFDHUGNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO6/c1-4-22-10-14(17)16(9-15(18)19)8-11-5-12(20-2)7-13(6-11)21-3/h5-7H,4,8-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid?
2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid has a molecular weight of 311.33 g/mol, XLogP of 1.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid is sourced from PubChem (CID 119197506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).