methyl 3-amino-5-ethoxybenzoate

C10H13NO3 — CID 45089063

IUPACmethyl 3-amino-5-ethoxybenzoate
SMILESCCOc1cc(N)cc(C(=O)OC)c1
InChIInChI=1S/C10H13NO3/c1-3-14-9-5-7(10(12)13-2)4-8(11)6-9/h4-6H,3,11H2,1-2H3
InChIKeyUBCBLDVGUKBPKU-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.45
Rot. Bonds3

About methyl 3-amino-5-ethoxybenzoate

methyl 3-amino-5-ethoxybenzoate (PubChem CID 45089063) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 3-amino-5-ethoxybenzoate.

Molecular Properties

Compound Namemethyl 3-amino-5-ethoxybenzoate
PubChem CID45089063
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namemethyl 3-amino-5-ethoxybenzoate
SMILESCCOc1cc(N)cc(C(=O)OC)c1
InChIInChI=1S/C10H13NO3/c1-3-14-9-5-7(10(12)13-2)4-8(11)6-9/h4-6H,3,11H2,1-2H3
InChIKeyUBCBLDVGUKBPKU-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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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-ethoxybenzoate?
The IUPAC name of methyl 3-amino-5-ethoxybenzoate (CID 45089063) is methyl 3-amino-5-ethoxybenzoate.
What is the SMILES notation for methyl 3-amino-5-ethoxybenzoate?
The canonical SMILES for methyl 3-amino-5-ethoxybenzoate is CCOc1cc(N)cc(C(=O)OC)c1.
What is the InChIKey of methyl 3-amino-5-ethoxybenzoate?
The InChIKey is UBCBLDVGUKBPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-14-9-5-7(10(12)13-2)4-8(11)6-9/h4-6H,3,11H2,1-2H3.
What are the key properties of methyl 3-amino-5-ethoxybenzoate?
methyl 3-amino-5-ethoxybenzoate 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 methyl 3-amino-5-ethoxybenzoate is sourced from PubChem (CID 45089063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).