ethyl 2-amino-6-hydroxybenzoate

C9H11NO3 — CID 70700315

IUPACethyl 2-amino-6-hydroxybenzoate
SMILESCCOC(=O)c1c(N)cccc1O
InChIInChI=1S/C9H11NO3/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5,11H,2,10H2,1H3
InChIKeyWMPIXNYJHKHSJG-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.15
Rot. Bonds2

About ethyl 2-amino-6-hydroxybenzoate

ethyl 2-amino-6-hydroxybenzoate (PubChem CID 70700315) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethyl 2-amino-6-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 2-amino-6-hydroxybenzoate
PubChem CID70700315
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Nameethyl 2-amino-6-hydroxybenzoate
SMILESCCOC(=O)c1c(N)cccc1O
InChIInChI=1S/C9H11NO3/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5,11H,2,10H2,1H3
InChIKeyWMPIXNYJHKHSJG-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'}

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Related Compounds

3-amino-2-ethoxycarbonylbenzoic acid
CID 91873809
ethyl 2-amino-6-cyanobenzoate
CID 91873808
ethyl 2-(bromomethyl)-6-hydroxybenzoate
CID 69031020
ethyl 2,6-dimethylbenzoate
CID 520807
ethyl 3-amino-2-hydroxybenzoate;hydrochloride
CID 117046540
diethyl 2,4,6-trihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,3-dicarboxylate
CID 169437924
ethyl 2-(3-bromo-2-oxopropyl)-6-hydroxybenzoate
CID 134641025
ethyl 2,6-difluorobenzoate
CID 519631
ethyl 2-(3-bromopropyl)-6-hydroxybenzoate
CID 134642008
(2-ethoxy-2-oxoethyl) 2-amino-6-chlorobenzoate
CID 63663104
ethyl 6-amino-2-bromo-3-methylbenzoate
CID 131699648
ethyl 3-amino-2-fluorobenzoate
CID 46311258

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6-hydroxybenzoate?
The IUPAC name of ethyl 2-amino-6-hydroxybenzoate (CID 70700315) is ethyl 2-amino-6-hydroxybenzoate.
What is the SMILES notation for ethyl 2-amino-6-hydroxybenzoate?
The canonical SMILES for ethyl 2-amino-6-hydroxybenzoate is CCOC(=O)c1c(N)cccc1O.
What is the InChIKey of ethyl 2-amino-6-hydroxybenzoate?
The InChIKey is WMPIXNYJHKHSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5,11H,2,10H2,1H3.
What are the key properties of ethyl 2-amino-6-hydroxybenzoate?
ethyl 2-amino-6-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 2-amino-6-hydroxybenzoate is sourced from PubChem (CID 70700315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).