2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid

C12H17NO3 — CID 60839571

IUPAC2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid
SMILESCOCCN(CC(=O)O)c1ccc(C)cc1
InChIInChI=1S/C12H17NO3/c1-10-3-5-11(6-4-10)13(7-8-16-2)9-12(14)15/h3-6H,7-9H2,1-2H3,(H,14,15)
InChIKeyZHYCJNYNGZETOH-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.53
Rot. Bonds6

About 2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid

2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid (PubChem CID 60839571) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid.

Molecular Properties

Compound Name2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid
PubChem CID60839571
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid
SMILESCOCCN(CC(=O)O)c1ccc(C)cc1
InChIInChI=1S/C12H17NO3/c1-10-3-5-11(6-4-10)13(7-8-16-2)9-12(14)15/h3-6H,7-9H2,1-2H3,(H,14,15)
InChIKeyZHYCJNYNGZETOH-UHFFFAOYSA-N
XLogP1.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyl-N-propylanilino)acetic acid
CID 19875097
2-[N-(3-aminopropyl)-4-methylanilino]acetic acid
CID 63654241
2-(N-(3-amino-3-oxopropyl)-4-methylanilino)acetic acid
CID 60839570
2-[4-methyl-N-(3,3,3-trifluoropropyl)anilino]acetic acid
CID 64566736
2-(N-[3-(dimethylamino)-3-oxopropyl]-4-methylanilino)acetic acid
CID 54879046
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 54968853
2-[N-[2-(4-methylphenyl)sulfonyloxyethyl]anilino]acetic acid
CID 87508306
3-[N-[3-(2-methoxyethoxy)propyl]-4-methylanilino]propanoic acid
CID 103410820
2-[4-methyl-N-(2-pyridin-4-ylethyl)anilino]acetic acid
CID 60891884
2-(N-(2-hydroxy-2-methylpropyl)-4-methylanilino)acetic acid
CID 60884016
2-[N-(2-carbamoyloxyethyl)-4-methylanilino]ethyl carbamate
CID 29550

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid?
The IUPAC name of 2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid (CID 60839571) is 2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid.
What is the SMILES notation for 2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid?
The canonical SMILES for 2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid is COCCN(CC(=O)O)c1ccc(C)cc1.
What is the InChIKey of 2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid?
The InChIKey is ZHYCJNYNGZETOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-10-3-5-11(6-4-10)13(7-8-16-2)9-12(14)15/h3-6H,7-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid?
2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid has a molecular weight of 223.27 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid is sourced from PubChem (CID 60839571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).