methyl 3-amino-5-(3-hydroxyphenyl)benzoate

C14H13NO3 — CID 164888360

IUPACmethyl 3-amino-5-(3-hydroxyphenyl)benzoate
SMILESCOC(=O)c1cc(N)cc(-c2cccc(O)c2)c1
InChIInChI=1S/C14H13NO3/c1-18-14(17)11-5-10(6-12(15)7-11)9-3-2-4-13(16)8-9/h2-8,16H,15H2,1H3
InChIKeyVSUHOARTAGVRKG-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.43
Rot. Bonds2

About methyl 3-amino-5-(3-hydroxyphenyl)benzoate

methyl 3-amino-5-(3-hydroxyphenyl)benzoate (PubChem CID 164888360) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 3-amino-5-(3-hydroxyphenyl)benzoate.

Molecular Properties

Compound Namemethyl 3-amino-5-(3-hydroxyphenyl)benzoate
PubChem CID164888360
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 3-amino-5-(3-hydroxyphenyl)benzoate
SMILESCOC(=O)c1cc(N)cc(-c2cccc(O)c2)c1
InChIInChI=1S/C14H13NO3/c1-18-14(17)11-5-10(6-12(15)7-11)9-3-2-4-13(16)8-9/h2-8,16H,15H2,1H3
InChIKeyVSUHOARTAGVRKG-UHFFFAOYSA-N
XLogP2.43
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 3-amino-5-(3-hydroxyphenyl)benzoate 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

methyl 3-[3-amino-5-(trifluoromethyl)phenyl]benzoate
CID 171392128
dimethyl 5-[3-(4-methylphenyl)phenyl]benzene-1,3-dicarboxylate
CID 15533553
methyl 3-amino-5-[2-amino-6-(hydroxymethyl)phenyl]benzoate
CID 91801653
methyl 4-(3-hydroxyphenyl)-3-methylbenzoate
CID 169272062
methyl 4-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxylate
CID 56712674
methyl 2-fluoro-4-(3-hydroxyphenyl)benzoate
CID 53218667
4-[4-(3-hydroxy-5-methoxycarbonylphenyl)phenyl]benzoic acid
CID 167869556
methyl 3-(2-amino-4-pyridinyl)benzoate
CID 82556028
methyl 3-amino-5-(4-piperidin-4-ylphenyl)benzoate
CID 139406872
methyl 3-(3,5-dichlorophenyl)-5-hydroxybenzoate
CID 146243627
ethane;methyl 3-amino-5-(5-methyl-2-pyridinyl)benzoate
CID 143600440
3-(3-acetamidophenyl)-5-aminobenzoic acid
CID 53227021

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(3-hydroxyphenyl)benzoate?
The IUPAC name of methyl 3-amino-5-(3-hydroxyphenyl)benzoate (CID 164888360) is methyl 3-amino-5-(3-hydroxyphenyl)benzoate.
What is the SMILES notation for methyl 3-amino-5-(3-hydroxyphenyl)benzoate?
The canonical SMILES for methyl 3-amino-5-(3-hydroxyphenyl)benzoate is COC(=O)c1cc(N)cc(-c2cccc(O)c2)c1.
What is the InChIKey of methyl 3-amino-5-(3-hydroxyphenyl)benzoate?
The InChIKey is VSUHOARTAGVRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-14(17)11-5-10(6-12(15)7-11)9-3-2-4-13(16)8-9/h2-8,16H,15H2,1H3.
What are the key properties of methyl 3-amino-5-(3-hydroxyphenyl)benzoate?
methyl 3-amino-5-(3-hydroxyphenyl)benzoate has a molecular weight of 243.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(3-hydroxyphenyl)benzoate is sourced from PubChem (CID 164888360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).