2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]acetic acid

C11H15NO4 — CID 65056423

IUPAC2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]acetic acid
SMILESCOc1cccc(CN(C)CC(=O)O)c1O
InChIInChI=1S/C11H15NO4/c1-12(7-10(13)14)6-8-4-3-5-9(16-2)11(8)15/h3-5,15H,6-7H2,1-2H3,(H,13,14)
InChIKeyBVGJXFPEKAOQFT-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.92
Rot. Bonds5

About 2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]acetic acid

2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]acetic acid (PubChem CID 65056423) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]acetic acid
PubChem CID65056423
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]acetic acid
SMILESCOc1cccc(CN(C)CC(=O)O)c1O
InChIInChI=1S/C11H15NO4/c1-12(7-10(13)14)6-8-4-3-5-9(16-2)11(8)15/h3-5,15H,6-7H2,1-2H3,(H,13,14)
InChIKeyBVGJXFPEKAOQFT-UHFFFAOYSA-N
XLogP0.92
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(2-hydroxy-3-methoxyphenyl)methyl-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

2-[2-(dimethylamino)ethyl-[(2-hydroxy-3-methoxyphenyl)methyl]amino]acetic acid
CID 107426429
2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 82979091
2-methoxy-6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol
CID 82983294
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol
CID 82974737
2-[(2-iodophenyl)methyl-methylamino]acetic acid
CID 66568489
2-[[3-[[bis(carboxymethyl)amino]methyl]-2-hydroxyphenyl]methyl-(carboxymethyl)amino]acetic acid
CID 5242005
3-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27095531
2-[(3-chloro-2-methylphenyl)methyl-methylamino]acetic acid
CID 136560023
4-[(2-fluoro-3-methoxyphenyl)methyl-methylamino]butanoic acid
CID 113453649
N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide
CID 139206905
2-methoxy-6-[[methyl(piperidin-2-ylmethyl)amino]methyl]phenol
CID 106622828

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]acetic acid (CID 65056423) is 2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]acetic acid is COc1cccc(CN(C)CC(=O)O)c1O.
What is the InChIKey of 2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]acetic acid?
The InChIKey is BVGJXFPEKAOQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-12(7-10(13)14)6-8-4-3-5-9(16-2)11(8)15/h3-5,15H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]acetic acid?
2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]acetic acid has a molecular weight of 225.24 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]acetic acid is sourced from PubChem (CID 65056423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).