ethyl 2-(3-amino-5-methoxyanilino)acetate

C11H16N2O3 — CID 80730548

IUPACethyl 2-(3-amino-5-methoxyanilino)acetate
SMILESCCOC(=O)CNc1cc(N)cc(OC)c1
InChIInChI=1S/C11H16N2O3/c1-3-16-11(14)7-13-9-4-8(12)5-10(6-9)15-2/h4-6,13H,3,7,12H2,1-2H3
InChIKeyWUIMYEUWWLJWBD-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.25
Rot. Bonds5

About ethyl 2-(3-amino-5-methoxyanilino)acetate

ethyl 2-(3-amino-5-methoxyanilino)acetate (PubChem CID 80730548) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 2-(3-amino-5-methoxyanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(3-amino-5-methoxyanilino)acetate
PubChem CID80730548
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nameethyl 2-(3-amino-5-methoxyanilino)acetate
SMILESCCOC(=O)CNc1cc(N)cc(OC)c1
InChIInChI=1S/C11H16N2O3/c1-3-16-11(14)7-13-9-4-8(12)5-10(6-9)15-2/h4-6,13H,3,7,12H2,1-2H3
InChIKeyWUIMYEUWWLJWBD-UHFFFAOYSA-N
XLogP1.25
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-5-methoxyanilino)acetamide
CID 80725904
2-(3-amino-5-methoxyanilino)-N-tert-butylacetamide
CID 113293136
2-(3-amino-5-methoxyanilino)-N-cyclopropylacetamide
CID 80730738
ethyl 2-[(5-amino-3-pyridinyl)amino]acetate
CID 104533108
ethyl 2-(3,5-dihydroxyanilino)acetate
CID 165356173
2-(3-amino-5-ethoxyanilino)-N,N-dimethylacetamide
CID 80723754
methyl 2-(3-bromo-5-methoxyanilino)acetate
CID 82867874
(2-ethoxy-2-oxoethyl) 3-amino-5-methoxybenzoate
CID 81091460
3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine
CID 80726384
ethyl 2-(2,5-dimethoxyanilino)acetate
CID 28576005
ethyl 2-(4-amino-3-ethoxyanilino)acetate
CID 63670664
3-[(3-amino-5-methoxyanilino)methyl]pentan-1-ol
CID 80738189

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-amino-5-methoxyanilino)acetate?
The IUPAC name of ethyl 2-(3-amino-5-methoxyanilino)acetate (CID 80730548) is ethyl 2-(3-amino-5-methoxyanilino)acetate.
What is the SMILES notation for ethyl 2-(3-amino-5-methoxyanilino)acetate?
The canonical SMILES for ethyl 2-(3-amino-5-methoxyanilino)acetate is CCOC(=O)CNc1cc(N)cc(OC)c1.
What is the InChIKey of ethyl 2-(3-amino-5-methoxyanilino)acetate?
The InChIKey is WUIMYEUWWLJWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-16-11(14)7-13-9-4-8(12)5-10(6-9)15-2/h4-6,13H,3,7,12H2,1-2H3.
What are the key properties of ethyl 2-(3-amino-5-methoxyanilino)acetate?
ethyl 2-(3-amino-5-methoxyanilino)acetate has a molecular weight of 224.26 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-amino-5-methoxyanilino)acetate is sourced from PubChem (CID 80730548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).