ethenyl 4-amino-2-hydroxybenzoate

C9H9NO3 — CID 21423592

IUPACethenyl 4-amino-2-hydroxybenzoate
SMILESC=COC(=O)c1ccc(N)cc1O
InChIInChI=1S/C9H9NO3/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h2-5,11H,1,10H2
InChIKeyMCMMXODGOCMNIQ-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.27
Rot. Bonds2

About ethenyl 4-amino-2-hydroxybenzoate

ethenyl 4-amino-2-hydroxybenzoate (PubChem CID 21423592) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is ethenyl 4-amino-2-hydroxybenzoate.

Molecular Properties

Compound Nameethenyl 4-amino-2-hydroxybenzoate
PubChem CID21423592
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Nameethenyl 4-amino-2-hydroxybenzoate
SMILESC=COC(=O)c1ccc(N)cc1O
InChIInChI=1S/C9H9NO3/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h2-5,11H,1,10H2
InChIKeyMCMMXODGOCMNIQ-UHFFFAOYSA-N
XLogP1.27
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze ethenyl 4-amino-2-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethenyl 4-amino-2-propylbenzoate
CID 54077984
ethene;ethenyl 2-hydroxybenzoate
CID 159926426
(2,6-dimethylphenyl) 4-amino-2-hydroxybenzoate
CID 23275051
4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid
CID 54364627
4-amino-2-hydroxybenzoic acid;dihydrochloride
CID 140557780
4-hydroxybutyl 4-amino-2-hydroxybenzoate
CID 121220712
4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid
CID 57080181
lithium;4-amino-2-hydroxybenzoic acid;hydride
CID 173041117
CID 131855870
CID 131855870
4-amino-2-hydroxybenzoic acid;carbamic acid
CID 67980024
oxetan-3-yl 4-amino-2-hydroxybenzoate
CID 102606824
5-hydroxypentyl 4-amino-2-hydroxybenzoate
CID 121013033

Frequently Asked Questions

What is the IUPAC name of ethenyl 4-amino-2-hydroxybenzoate?
The IUPAC name of ethenyl 4-amino-2-hydroxybenzoate (CID 21423592) is ethenyl 4-amino-2-hydroxybenzoate.
What is the SMILES notation for ethenyl 4-amino-2-hydroxybenzoate?
The canonical SMILES for ethenyl 4-amino-2-hydroxybenzoate is C=COC(=O)c1ccc(N)cc1O.
What is the InChIKey of ethenyl 4-amino-2-hydroxybenzoate?
The InChIKey is MCMMXODGOCMNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h2-5,11H,1,10H2.
What are the key properties of ethenyl 4-amino-2-hydroxybenzoate?
ethenyl 4-amino-2-hydroxybenzoate has a molecular weight of 179.17 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 4-amino-2-hydroxybenzoate is sourced from PubChem (CID 21423592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).