ethyl 3-amino-4-hydroxy-2-methylbenzoate

C10H13NO3 — CID 131486340

IUPACethyl 3-amino-4-hydroxy-2-methylbenzoate
SMILESCCOC(=O)c1ccc(O)c(N)c1C
InChIInChI=1S/C10H13NO3/c1-3-14-10(13)7-4-5-8(12)9(11)6(7)2/h4-5,12H,3,11H2,1-2H3
InChIKeyIEJBUSZJEBUDIQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.46
Rot. Bonds2

About ethyl 3-amino-4-hydroxy-2-methylbenzoate

ethyl 3-amino-4-hydroxy-2-methylbenzoate (PubChem CID 131486340) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl 3-amino-4-hydroxy-2-methylbenzoate.

Molecular Properties

Compound Nameethyl 3-amino-4-hydroxy-2-methylbenzoate
PubChem CID131486340
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Nameethyl 3-amino-4-hydroxy-2-methylbenzoate
SMILESCCOC(=O)c1ccc(O)c(N)c1C
InChIInChI=1S/C10H13NO3/c1-3-14-10(13)7-4-5-8(12)9(11)6(7)2/h4-5,12H,3,11H2,1-2H3
InChIKeyIEJBUSZJEBUDIQ-UHFFFAOYSA-N
XLogP1.46
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-amino-4-hydroxy-2-methylbenzoate
CID 84768345
ethyl 4-amino-3-fluoro-2-methylbenzoate
CID 131583478
ethyl 4-amino-2,3-dihydroxybenzoate
CID 174666783
ethyl 4-hydroxy-2,3-bis(trifluoromethyl)benzoate
CID 134639084
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
diethyl 4-amino-5-hydroxybenzene-1,2-dicarboxylate
CID 19800643
ethyl 2-(6-ethoxycarbonyl-2,3-dimethylphenyl)-3,4-dimethylbenzoate
CID 12546776
ethyl 5-[(3-ethoxycarbonyl-4-hydroxyphenyl)methyl]-2-hydroxybenzoate
CID 23660222
ethyl 4-amino-2-bromo-3-methylbenzoate
CID 171020944
ethyl 3-cyano-2,4-dihydroxybenzoate
CID 131533377
methyl 2-amino-4-hydroxy-3-methylbenzoate
CID 131285630
diethyl 3,4-dimethylbenzene-1,2-dicarboxylate
CID 66647906

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-hydroxy-2-methylbenzoate?
The IUPAC name of ethyl 3-amino-4-hydroxy-2-methylbenzoate (CID 131486340) is ethyl 3-amino-4-hydroxy-2-methylbenzoate.
What is the SMILES notation for ethyl 3-amino-4-hydroxy-2-methylbenzoate?
The canonical SMILES for ethyl 3-amino-4-hydroxy-2-methylbenzoate is CCOC(=O)c1ccc(O)c(N)c1C.
What is the InChIKey of ethyl 3-amino-4-hydroxy-2-methylbenzoate?
The InChIKey is IEJBUSZJEBUDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-14-10(13)7-4-5-8(12)9(11)6(7)2/h4-5,12H,3,11H2,1-2H3.
What are the key properties of ethyl 3-amino-4-hydroxy-2-methylbenzoate?
ethyl 3-amino-4-hydroxy-2-methylbenzoate has a molecular weight of 195.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-hydroxy-2-methylbenzoate is sourced from PubChem (CID 131486340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).