ethyl 5-amino-2-methoxybenzoate

C10H13NO3 — CID 22180184

IUPACethyl 5-amino-2-methoxybenzoate
SMILESCCOC(=O)c1cc(N)ccc1OC
InChIInChI=1S/C10H13NO3/c1-3-14-10(12)8-6-7(11)4-5-9(8)13-2/h4-6H,3,11H2,1-2H3
InChIKeyVDMNTABBMYNULR-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.45
Rot. Bonds3

About ethyl 5-amino-2-methoxybenzoate

ethyl 5-amino-2-methoxybenzoate (PubChem CID 22180184) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl 5-amino-2-methoxybenzoate.

Molecular Properties

Compound Nameethyl 5-amino-2-methoxybenzoate
PubChem CID22180184
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Nameethyl 5-amino-2-methoxybenzoate
SMILESCCOC(=O)c1cc(N)ccc1OC
InChIInChI=1S/C10H13NO3/c1-3-14-10(12)8-6-7(11)4-5-9(8)13-2/h4-6H,3,11H2,1-2H3
InChIKeyVDMNTABBMYNULR-UHFFFAOYSA-N
XLogP1.45
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxy-2-oxoethyl) 5-amino-2-methoxybenzoate
CID 61323469
nonyl 5-amino-2-methoxybenzoate
CID 63450276
ethyl 5-(hydroxymethyl)-2-methoxybenzoate
CID 131750236
ethyl 5-acetyl-2-methoxybenzoate
CID 97035919
ethyl 5-ethenyl-2-methoxybenzoate
CID 172649040
2-[(2-methylpropan-2-yl)oxy]ethyl 5-amino-2-methoxybenzoate
CID 112588565
ethyl 5-amino-2-(3-fluoropropoxy)benzoate
CID 106955925
[2-oxo-2-(propylamino)ethyl] 5-amino-2-methoxybenzoate
CID 61321954
ethyl 5-cyano-2-methoxybenzoate
CID 117275313
ethyl 5-amino-2-(2-propoxyethoxy)benzoate
CID 55232457
[3-(methylamino)-3-oxopropyl] 5-amino-2-methoxybenzoate
CID 55060431
ethyl 2-acetyl-4-aminobenzoate
CID 70477143

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-methoxybenzoate?
The IUPAC name of ethyl 5-amino-2-methoxybenzoate (CID 22180184) is ethyl 5-amino-2-methoxybenzoate.
What is the SMILES notation for ethyl 5-amino-2-methoxybenzoate?
The canonical SMILES for ethyl 5-amino-2-methoxybenzoate is CCOC(=O)c1cc(N)ccc1OC.
What is the InChIKey of ethyl 5-amino-2-methoxybenzoate?
The InChIKey is VDMNTABBMYNULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-14-10(12)8-6-7(11)4-5-9(8)13-2/h4-6H,3,11H2,1-2H3.
What are the key properties of ethyl 5-amino-2-methoxybenzoate?
ethyl 5-amino-2-methoxybenzoate has a molecular weight of 195.22 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-methoxybenzoate is sourced from PubChem (CID 22180184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).