methyl 2-(2-amino-4-chloro-5-methoxyphenoxy)acetate

C10H12ClNO4 — CID 89053253

IUPACmethyl 2-(2-amino-4-chloro-5-methoxyphenoxy)acetate
SMILESCOC(=O)COc1cc(OC)c(Cl)cc1N
InChIInChI=1S/C10H12ClNO4/c1-14-8-4-9(7(12)3-6(8)11)16-5-10(13)15-2/h3-4H,5,12H2,1-2H3
InChIKeyWSQDICHJVPUQQX-UHFFFAOYSA-N
MW245.66 g/mol
LogP1.48
Rot. Bonds4

About methyl 2-(2-amino-4-chloro-5-methoxyphenoxy)acetate

methyl 2-(2-amino-4-chloro-5-methoxyphenoxy)acetate (PubChem CID 89053253) has the molecular formula C10H12ClNO4 and a molecular weight of 245.66 g/mol. Its IUPAC name is methyl 2-(2-amino-4-chloro-5-methoxyphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-4-chloro-5-methoxyphenoxy)acetate
PubChem CID89053253
Molecular FormulaC10H12ClNO4
Molecular Weight245.66 g/mol
Exact Mass245.05
IUPAC Namemethyl 2-(2-amino-4-chloro-5-methoxyphenoxy)acetate
SMILESCOC(=O)COc1cc(OC)c(Cl)cc1N
InChIInChI=1S/C10H12ClNO4/c1-14-8-4-9(7(12)3-6(8)11)16-5-10(13)15-2/h3-4H,5,12H2,1-2H3
InChIKeyWSQDICHJVPUQQX-UHFFFAOYSA-N
XLogP1.48
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-(2-amino-4-chloro-5-methoxyphenoxy)acetate 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-amino-4-chloro-5-methoxyphenoxy)acetic acid
CID 18543387
methyl 4-amino-3-(2-methoxy-2-oxoethoxy)benzoate
CID 43380203
methyl 2-(3-amino-4-chlorophenoxy)acetate
CID 66717604
methyl 2-(4-carbamothioyl-2-chlorophenoxy)acetate
CID 61389131
methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 5312098
[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 42003289
methyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate
CID 54931047
methyl 4-(5-chloro-2,4-dimethoxyanilino)butanoate
CID 43377856
1-(4-amino-2-chloro-5-methoxyphenyl)ethanone
CID 53402810
(2-amino-4-chloro-5-methoxyphenyl)methanol
CID 130139409
4-butoxy-5-chloro-2-methoxyaniline
CID 131848144
4-(2-amino-4-chloro-5-methoxyphenoxy)-2-(4-amino-2-chloro-5-methoxyphenoxy)butane-1,3-diol
CID 70188652

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-4-chloro-5-methoxyphenoxy)acetate?
The IUPAC name of methyl 2-(2-amino-4-chloro-5-methoxyphenoxy)acetate (CID 89053253) is methyl 2-(2-amino-4-chloro-5-methoxyphenoxy)acetate.
What is the SMILES notation for methyl 2-(2-amino-4-chloro-5-methoxyphenoxy)acetate?
The canonical SMILES for methyl 2-(2-amino-4-chloro-5-methoxyphenoxy)acetate is COC(=O)COc1cc(OC)c(Cl)cc1N.
What is the InChIKey of methyl 2-(2-amino-4-chloro-5-methoxyphenoxy)acetate?
The InChIKey is WSQDICHJVPUQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4/c1-14-8-4-9(7(12)3-6(8)11)16-5-10(13)15-2/h3-4H,5,12H2,1-2H3.
What are the key properties of methyl 2-(2-amino-4-chloro-5-methoxyphenoxy)acetate?
methyl 2-(2-amino-4-chloro-5-methoxyphenoxy)acetate has a molecular weight of 245.66 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-4-chloro-5-methoxyphenoxy)acetate is sourced from PubChem (CID 89053253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).