2-[(2,5-dimethoxyphenyl)methylamino]acetic acid

C11H15NO4 — CID 43135095

IUPAC2-[(2,5-dimethoxyphenyl)methylamino]acetic acid
SMILESCOc1ccc(OC)c(CNCC(=O)O)c1
InChIInChI=1S/C11H15NO4/c1-15-9-3-4-10(16-2)8(5-9)6-12-7-11(13)14/h3-5,12H,6-7H2,1-2H3,(H,13,14)
InChIKeyGYWGYHGYVSOOKV-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.88
Rot. Bonds6

About 2-[(2,5-dimethoxyphenyl)methylamino]acetic acid

2-[(2,5-dimethoxyphenyl)methylamino]acetic acid (PubChem CID 43135095) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)methylamino]acetic acid
PubChem CID43135095
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-[(2,5-dimethoxyphenyl)methylamino]acetic acid
SMILESCOc1ccc(OC)c(CNCC(=O)O)c1
InChIInChI=1S/C11H15NO4/c1-15-9-3-4-10(16-2)8(5-9)6-12-7-11(13)14/h3-5,12H,6-7H2,1-2H3,(H,13,14)
InChIKeyGYWGYHGYVSOOKV-UHFFFAOYSA-N
XLogP0.88
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2,5-dimethoxyphenyl)methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2,5-dimethoxyphenyl)methylamino]propanoic acid
CID 43112090
2-[(2,4-dimethoxyphenyl)methylamino]acetic acid
CID 11042399
2-[(2,4-dimethoxyphenyl)methylamino]acetic acid;ethane;methanol
CID 170597186
2-bromo-N-[(2,5-dimethoxyphenyl)methyl]prop-2-en-1-amine
CID 115614887
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)methylamino]acetamide
CID 43401917
(2R)-2-[(2,5-dimethoxyphenyl)methylamino]propanoic acid
CID 51690896
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate
CID 82532880
2-[(4,5-dimethoxy-2-methylphenyl)methylamino]acetic acid
CID 43465736
2-(2,5-dimethoxyphenyl)-N-methoxyacetamide
CID 78829398
2-[(2,5-dimethoxyphenyl)methylamino]butanoic acid
CID 82364659
2-[(3-methoxyphenyl)methylamino]acetic acid
CID 13236084

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)methylamino]acetic acid?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)methylamino]acetic acid (CID 43135095) is 2-[(2,5-dimethoxyphenyl)methylamino]acetic acid.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)methylamino]acetic acid?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)methylamino]acetic acid is COc1ccc(OC)c(CNCC(=O)O)c1.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)methylamino]acetic acid?
The InChIKey is GYWGYHGYVSOOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-15-9-3-4-10(16-2)8(5-9)6-12-7-11(13)14/h3-5,12H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[(2,5-dimethoxyphenyl)methylamino]acetic acid?
2-[(2,5-dimethoxyphenyl)methylamino]acetic acid has a molecular weight of 225.24 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)methylamino]acetic acid is sourced from PubChem (CID 43135095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).