2-amino-5-ethoxy-4-methoxybenzoic acid

C10H13NO4 — CID 4962862

IUPAC2-amino-5-ethoxy-4-methoxybenzoic acid
SMILESCCOc1cc(C(=O)O)c(N)cc1OC
InChIInChI=1S/C10H13NO4/c1-3-15-9-4-6(10(12)13)7(11)5-8(9)14-2/h4-5H,3,11H2,1-2H3,(H,12,13)
InChIKeyLMLMBWMYHXXDAN-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.37
Rot. Bonds4

About 2-amino-5-ethoxy-4-methoxybenzoic acid

2-amino-5-ethoxy-4-methoxybenzoic acid (PubChem CID 4962862) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-amino-5-ethoxy-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-amino-5-ethoxy-4-methoxybenzoic acid
PubChem CID4962862
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-amino-5-ethoxy-4-methoxybenzoic acid
SMILESCCOc1cc(C(=O)O)c(N)cc1OC
InChIInChI=1S/C10H13NO4/c1-3-15-9-4-6(10(12)13)7(11)5-8(9)14-2/h4-5H,3,11H2,1-2H3,(H,12,13)
InChIKeyLMLMBWMYHXXDAN-UHFFFAOYSA-N
XLogP1.37
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.37
H-Bond Donors ≤ 52
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 2-amino-5-ethoxy-4-methoxybenzoic acid?
The IUPAC name of 2-amino-5-ethoxy-4-methoxybenzoic acid (CID 4962862) is 2-amino-5-ethoxy-4-methoxybenzoic acid.
What is the SMILES notation for 2-amino-5-ethoxy-4-methoxybenzoic acid?
The canonical SMILES for 2-amino-5-ethoxy-4-methoxybenzoic acid is CCOc1cc(C(=O)O)c(N)cc1OC.
What is the InChIKey of 2-amino-5-ethoxy-4-methoxybenzoic acid?
The InChIKey is LMLMBWMYHXXDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-3-15-9-4-6(10(12)13)7(11)5-8(9)14-2/h4-5H,3,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-5-ethoxy-4-methoxybenzoic acid?
2-amino-5-ethoxy-4-methoxybenzoic acid has a molecular weight of 211.22 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethoxy-4-methoxybenzoic acid is sourced from PubChem (CID 4962862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).