methyl 3-amino-2-hydroxybenzoate

C8H9NO3 — CID 12782444

IUPACmethyl 3-amino-2-hydroxybenzoate
SMILESCOC(=O)c1cccc(N)c1O
InChIInChI=1S/C8H9NO3/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,10H,9H2,1H3
InChIKeyOMWQHVRUXLRZRC-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.76
Rot. Bonds1

About methyl 3-amino-2-hydroxybenzoate

methyl 3-amino-2-hydroxybenzoate (PubChem CID 12782444) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is methyl 3-amino-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-amino-2-hydroxybenzoate
PubChem CID12782444
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Namemethyl 3-amino-2-hydroxybenzoate
SMILESCOC(=O)c1cccc(N)c1O
InChIInChI=1S/C8H9NO3/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,10H,9H2,1H3
InChIKeyOMWQHVRUXLRZRC-UHFFFAOYSA-N
XLogP0.76
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.76
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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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-hydroxybenzoate?
The IUPAC name of methyl 3-amino-2-hydroxybenzoate (CID 12782444) is methyl 3-amino-2-hydroxybenzoate.
What is the SMILES notation for methyl 3-amino-2-hydroxybenzoate?
The canonical SMILES for methyl 3-amino-2-hydroxybenzoate is COC(=O)c1cccc(N)c1O.
What is the InChIKey of methyl 3-amino-2-hydroxybenzoate?
The InChIKey is OMWQHVRUXLRZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,10H,9H2,1H3.
What are the key properties of methyl 3-amino-2-hydroxybenzoate?
methyl 3-amino-2-hydroxybenzoate has a molecular weight of 167.16 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-hydroxybenzoate is sourced from PubChem (CID 12782444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).