2-[2-(3,4-dimethylphenyl)ethylamino]acetic acid

C12H17NO2 — CID 67679767

IUPAC2-[2-(3,4-dimethylphenyl)ethylamino]acetic acid
SMILESCc1ccc(CCNCC(=O)O)cc1C
InChIInChI=1S/C12H17NO2/c1-9-3-4-11(7-10(9)2)5-6-13-8-12(14)15/h3-4,7,13H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyOIHGZVRWTUJSDE-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.52
Rot. Bonds5

About 2-[2-(3,4-dimethylphenyl)ethylamino]acetic acid

2-[2-(3,4-dimethylphenyl)ethylamino]acetic acid (PubChem CID 67679767) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenyl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(3,4-dimethylphenyl)ethylamino]acetic acid
PubChem CID67679767
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[2-(3,4-dimethylphenyl)ethylamino]acetic acid
SMILESCc1ccc(CCNCC(=O)O)cc1C
InChIInChI=1S/C12H17NO2/c1-9-3-4-11(7-10(9)2)5-6-13-8-12(14)15/h3-4,7,13H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyOIHGZVRWTUJSDE-UHFFFAOYSA-N
XLogP1.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(3,4-dimethylphenyl)ethylamino]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-(2-methyl-4-pyridinyl)ethylamino]acetic acid
CID 23396943
2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
CID 60657051
2-(3,4-dimethylphenyl)-N-ethylethanamine;ethane;molecular hydrogen
CID 145215034
2-amino-3-[2-(3,4-dimethylphenyl)ethylamino]-3-oxopropanoic acid
CID 115179434
N'-[2-(3,4-dimethylphenyl)ethyl]methanediamine
CID 115225997
3-[2-(carboxymethylamino)ethyl]benzoic acid
CID 177277751
2-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 144851881
1-[2-(3,4-dimethylphenyl)ethyl]-3-propylurea
CID 110775625
N-[2-(3,4-dimethylphenyl)ethyl]-3-oxobutanamide
CID 115176506
2-amino-N-[2-(3,4-dimethylphenyl)ethyl]acetamide
CID 82492265
[1-[[2-(3,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243618
N-[2-(3,4-dimethylphenyl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182374

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylphenyl)ethylamino]acetic acid?
The IUPAC name of 2-[2-(3,4-dimethylphenyl)ethylamino]acetic acid (CID 67679767) is 2-[2-(3,4-dimethylphenyl)ethylamino]acetic acid.
What is the SMILES notation for 2-[2-(3,4-dimethylphenyl)ethylamino]acetic acid?
The canonical SMILES for 2-[2-(3,4-dimethylphenyl)ethylamino]acetic acid is Cc1ccc(CCNCC(=O)O)cc1C.
What is the InChIKey of 2-[2-(3,4-dimethylphenyl)ethylamino]acetic acid?
The InChIKey is OIHGZVRWTUJSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-3-4-11(7-10(9)2)5-6-13-8-12(14)15/h3-4,7,13H,5-6,8H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-(3,4-dimethylphenyl)ethylamino]acetic acid?
2-[2-(3,4-dimethylphenyl)ethylamino]acetic acid has a molecular weight of 207.27 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylphenyl)ethylamino]acetic acid is sourced from PubChem (CID 67679767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).