ethyl 4-amino-3-hydroxybenzoate

C9H11NO3 — CID 12784565

IUPACethyl 4-amino-3-hydroxybenzoate
SMILESCCOC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C9H11NO3/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,11H,2,10H2,1H3
InChIKeySVLMEEHRAATUJY-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.15
Rot. Bonds2

About ethyl 4-amino-3-hydroxybenzoate

ethyl 4-amino-3-hydroxybenzoate (PubChem CID 12784565) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethyl 4-amino-3-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 4-amino-3-hydroxybenzoate
PubChem CID12784565
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Nameethyl 4-amino-3-hydroxybenzoate
SMILESCCOC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C9H11NO3/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,11H,2,10H2,1H3
InChIKeySVLMEEHRAATUJY-UHFFFAOYSA-N
XLogP1.15
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.15
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

butyl 4-amino-3-hydroxybenzoate
CID 10727111
3,4-diaminobenzoic acid;ethyl 3,4-diaminobenzoate
CID 159294295
ethyl 4-amino-3,5-dihydroxybenzoate
CID 130058658
4-ethoxycarbonyl-2-hydroxybenzoic acid
CID 51063880
3,3-dimethylbutyl 4-amino-3-hydroxybenzoate
CID 66226889
ethyl 4-amino-3-(methylamino)benzoate
CID 67332734
fluoro 4-amino-3-hydroxybenzoate
CID 144796447
ethyl 4-hydroxy-3-iodobenzoate
CID 11220038
ethyl 3-(3,4-diaminophenyl)benzoate
CID 154094188
ethyl 4-aminobenzoate
CID 2337
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 4-(difluoromethoxy)-3-hydroxybenzoate
CID 125496568

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-hydroxybenzoate?
The IUPAC name of ethyl 4-amino-3-hydroxybenzoate (CID 12784565) is ethyl 4-amino-3-hydroxybenzoate.
What is the SMILES notation for ethyl 4-amino-3-hydroxybenzoate?
The canonical SMILES for ethyl 4-amino-3-hydroxybenzoate is CCOC(=O)c1ccc(N)c(O)c1.
What is the InChIKey of ethyl 4-amino-3-hydroxybenzoate?
The InChIKey is SVLMEEHRAATUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,11H,2,10H2,1H3.
What are the key properties of ethyl 4-amino-3-hydroxybenzoate?
ethyl 4-amino-3-hydroxybenzoate has a molecular weight of 181.19 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-hydroxybenzoate is sourced from PubChem (CID 12784565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).