2-(4-methoxy-2,5-dimethylanilino)acetic acid

C11H15NO3 — CID 82492559

IUPAC2-(4-methoxy-2,5-dimethylanilino)acetic acid
SMILESCOc1cc(C)c(NCC(=O)O)cc1C
InChIInChI=1S/C11H15NO3/c1-7-5-10(15-3)8(2)4-9(7)12-6-11(13)14/h4-5,12H,6H2,1-3H3,(H,13,14)
InChIKeyQRUIFVSOACUHDT-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.81
Rot. Bonds4

About 2-(4-methoxy-2,5-dimethylanilino)acetic acid

2-(4-methoxy-2,5-dimethylanilino)acetic acid (PubChem CID 82492559) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-(4-methoxy-2,5-dimethylanilino)acetic acid.

Molecular Properties

Compound Name2-(4-methoxy-2,5-dimethylanilino)acetic acid
PubChem CID82492559
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-(4-methoxy-2,5-dimethylanilino)acetic acid
SMILESCOc1cc(C)c(NCC(=O)O)cc1C
InChIInChI=1S/C11H15NO3/c1-7-5-10(15-3)8(2)4-9(7)12-6-11(13)14/h4-5,12H,6H2,1-3H3,(H,13,14)
InChIKeyQRUIFVSOACUHDT-UHFFFAOYSA-N
XLogP1.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxy-2,5-dimethylanilino)-3-methylbutanoic acid
CID 115219700
1-(4,5-dimethoxy-2-methylanilino)propan-2-one
CID 115234469
2-(5-methoxy-2-methylanilino)acetic acid
CID 130496332
3-[(4-methoxy-2,5-dimethylanilino)methyl]oxetane-3-carboxylic acid
CID 115248282
2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid
CID 82501882
2-amino-3-(4-methoxy-2,5-dimethylanilino)-3-oxopropanoic acid
CID 115179087
1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea
CID 115168877
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine
CID 115196260
2-(4,5-dimethoxy-2-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9105356
3-amino-4-(4,5-dimethoxy-2-methylanilino)butanoic acid
CID 115241480
2-(2,5-dimethoxy-4-methylsulfanylanilino)acetic acid
CID 115218012

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,5-dimethylanilino)acetic acid?
The IUPAC name of 2-(4-methoxy-2,5-dimethylanilino)acetic acid (CID 82492559) is 2-(4-methoxy-2,5-dimethylanilino)acetic acid.
What is the SMILES notation for 2-(4-methoxy-2,5-dimethylanilino)acetic acid?
The canonical SMILES for 2-(4-methoxy-2,5-dimethylanilino)acetic acid is COc1cc(C)c(NCC(=O)O)cc1C.
What is the InChIKey of 2-(4-methoxy-2,5-dimethylanilino)acetic acid?
The InChIKey is QRUIFVSOACUHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-5-10(15-3)8(2)4-9(7)12-6-11(13)14/h4-5,12H,6H2,1-3H3,(H,13,14).
What are the key properties of 2-(4-methoxy-2,5-dimethylanilino)acetic acid?
2-(4-methoxy-2,5-dimethylanilino)acetic acid has a molecular weight of 209.24 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,5-dimethylanilino)acetic acid is sourced from PubChem (CID 82492559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).