2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid

C13H19NO3 — CID 54968853

IUPAC2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)Cc1ccc(C)cc1
InChIInChI=1S/C13H19NO3/c1-11-3-5-12(6-4-11)9-14(7-8-17-2)10-13(15)16/h3-6H,7-10H2,1-2H3,(H,15,16)
InChIKeyWAWVTKQCRCJQAP-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.53
Rot. Bonds7

About 2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid

2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid (PubChem CID 54968853) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid
PubChem CID54968853
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)Cc1ccc(C)cc1
InChIInChI=1S/C13H19NO3/c1-11-3-5-12(6-4-11)9-14(7-8-17-2)10-13(15)16/h3-6H,7-10H2,1-2H3,(H,15,16)
InChIKeyWAWVTKQCRCJQAP-UHFFFAOYSA-N
XLogP1.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]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-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39379496
2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-(2-methoxyethyl)amino]acetic acid
CID 65067251
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 65067154
2-[(4-bromo-3-fluorophenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 81441647
2-[benzyl(4-methoxybutyl)amino]acetic acid
CID 119134936
ethane;2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 143902975
3-[4-[[bis(2-methoxyethyl)amino]methyl]phenyl]propanoic acid
CID 84758632
2-[2-[bis(carboxymethyl)amino]ethyl-[[4-[[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]methyl]phenyl]methyl]amino]acetic acid
CID 163523536
N'-ethyl-N'-(2-methoxyethyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 168901210
2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 22951575
2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid
CID 60839571
2-[(4-methoxyphenyl)methyl-propylamino]acetic acid
CID 55026148

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid (CID 54968853) is 2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid is COCCN(CC(=O)O)Cc1ccc(C)cc1.
What is the InChIKey of 2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid?
The InChIKey is WAWVTKQCRCJQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-11-3-5-12(6-4-11)9-14(7-8-17-2)10-13(15)16/h3-6H,7-10H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid?
2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid has a molecular weight of 237.30 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 54968853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).