2-[2-(2,4-dimethylphenoxy)ethylamino]acetic acid

C12H17NO3 — CID 94684404

IUPAC2-[2-(2,4-dimethylphenoxy)ethylamino]acetic acid
SMILESCc1ccc(OCCNCC(=O)O)c(C)c1
InChIInChI=1S/C12H17NO3/c1-9-3-4-11(10(2)7-9)16-6-5-13-8-12(14)15/h3-4,7,13H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyVBJUWZLINAHCNM-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.36
Rot. Bonds6

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

2-[2-(2,4-dimethylphenoxy)ethylamino]acetic acid (PubChem CID 94684404) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenoxy)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenoxy)ethylamino]acetic acid
PubChem CID94684404
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[2-(2,4-dimethylphenoxy)ethylamino]acetic acid
SMILESCc1ccc(OCCNCC(=O)O)c(C)c1
InChIInChI=1S/C12H17NO3/c1-9-3-4-11(10(2)7-9)16-6-5-13-8-12(14)15/h3-4,7,13H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyVBJUWZLINAHCNM-UHFFFAOYSA-N
XLogP1.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(2,4-dimethylphenoxy)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

3-[3-(2,4-dimethylphenoxy)propanoyl-methylamino]propanoic acid
CID 60988844
N-[3-(2,4-dimethylphenoxy)propyl]propanamide
CID 20669618
3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine
CID 29015412
1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973601
N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyethanamine;oxalic acid
CID 2865464
1-[2-(dimethylamino)ethyl]-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973611
N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide
CID 36962711
N-[2-(2,4-dimethylphenoxy)ethyl]-2,4,6-trimethylaniline
CID 54796641
N-[3-(2,4-dimethylphenoxy)propyl]methanesulfonamide
CID 20661102
2-[3-(2,4-dimethylphenoxy)propanoyl-methylamino]acetic acid
CID 43356257
N-[2-(2,4-dimethylphenoxy)ethyl]-2-phenylsulfanylacetamide
CID 26446526
N-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112973603

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenoxy)ethylamino]acetic acid?
The IUPAC name of 2-[2-(2,4-dimethylphenoxy)ethylamino]acetic acid (CID 94684404) is 2-[2-(2,4-dimethylphenoxy)ethylamino]acetic acid.
What is the SMILES notation for 2-[2-(2,4-dimethylphenoxy)ethylamino]acetic acid?
The canonical SMILES for 2-[2-(2,4-dimethylphenoxy)ethylamino]acetic acid is Cc1ccc(OCCNCC(=O)O)c(C)c1.
What is the InChIKey of 2-[2-(2,4-dimethylphenoxy)ethylamino]acetic acid?
The InChIKey is VBJUWZLINAHCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9-3-4-11(10(2)7-9)16-6-5-13-8-12(14)15/h3-4,7,13H,5-6,8H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-(2,4-dimethylphenoxy)ethylamino]acetic acid?
2-[2-(2,4-dimethylphenoxy)ethylamino]acetic acid has a molecular weight of 223.27 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenoxy)ethylamino]acetic acid is sourced from PubChem (CID 94684404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).