methyl 4-amino-3-(2-methoxy-2-oxoethoxy)benzoate

C11H13NO5 — CID 43380203

IUPACmethyl 4-amino-3-(2-methoxy-2-oxoethoxy)benzoate
SMILESCOC(=O)COc1cc(C(=O)OC)ccc1N
InChIInChI=1S/C11H13NO5/c1-15-10(13)6-17-9-5-7(11(14)16-2)3-4-8(9)12/h3-5H,6,12H2,1-2H3
InChIKeySTLYZCFQLMXYID-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.61
Rot. Bonds4

About methyl 4-amino-3-(2-methoxy-2-oxoethoxy)benzoate

methyl 4-amino-3-(2-methoxy-2-oxoethoxy)benzoate (PubChem CID 43380203) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is methyl 4-amino-3-(2-methoxy-2-oxoethoxy)benzoate.

Molecular Properties

Compound Namemethyl 4-amino-3-(2-methoxy-2-oxoethoxy)benzoate
PubChem CID43380203
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Namemethyl 4-amino-3-(2-methoxy-2-oxoethoxy)benzoate
SMILESCOC(=O)COc1cc(C(=O)OC)ccc1N
InChIInChI=1S/C11H13NO5/c1-15-10(13)6-17-9-5-7(11(14)16-2)3-4-8(9)12/h3-5H,6,12H2,1-2H3
InChIKeySTLYZCFQLMXYID-UHFFFAOYSA-N
XLogP0.61
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 4-amino-3-(2-methoxy-2-oxoethoxy)benzoate 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

methyl 4-amino-3-[2-(dimethylamino)-2-oxoethoxy]benzoate
CID 43380196
methyl 4-amino-3-methoxybenzoate
CID 602411
methyl 4-amino-3-(3-ethoxypropoxy)benzoate
CID 65180377
methyl 4-amino-3-octoxybenzoate
CID 15434652
methyl 4-amino-3-nonoxybenzoate
CID 43380216
methyl 4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoate
CID 112588482
methyl 4-amino-3-[(2-bromo-5-methoxycarbonylphenyl)methoxy]benzoate
CID 139932775
methyl 4-amino-3-(2-butoxyethoxy)benzoate
CID 61483522
methyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate
CID 43380184
methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate
CID 43380178
methyl 4-amino-3-(difluoromethoxy)benzoate
CID 43380209
methyl 4-amino-3-(2-methylbutan-2-yloxy)benzoate
CID 82796395

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(2-methoxy-2-oxoethoxy)benzoate?
The IUPAC name of methyl 4-amino-3-(2-methoxy-2-oxoethoxy)benzoate (CID 43380203) is methyl 4-amino-3-(2-methoxy-2-oxoethoxy)benzoate.
What is the SMILES notation for methyl 4-amino-3-(2-methoxy-2-oxoethoxy)benzoate?
The canonical SMILES for methyl 4-amino-3-(2-methoxy-2-oxoethoxy)benzoate is COC(=O)COc1cc(C(=O)OC)ccc1N.
What is the InChIKey of methyl 4-amino-3-(2-methoxy-2-oxoethoxy)benzoate?
The InChIKey is STLYZCFQLMXYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-15-10(13)6-17-9-5-7(11(14)16-2)3-4-8(9)12/h3-5H,6,12H2,1-2H3.
What are the key properties of methyl 4-amino-3-(2-methoxy-2-oxoethoxy)benzoate?
methyl 4-amino-3-(2-methoxy-2-oxoethoxy)benzoate has a molecular weight of 239.23 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(2-methoxy-2-oxoethoxy)benzoate is sourced from PubChem (CID 43380203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).