amino 2-hydroxy-4-methylbenzoate

C8H9NO3 — CID 174368722

IUPACamino 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)ON)c(O)c1
InChIInChI=1S/C8H9NO3/c1-5-2-3-6(7(10)4-5)8(11)12-9/h2-4,10H,9H2,1H3
InChIKeyGGTNOEVUVRDLAW-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.73
Rot. Bonds1

About amino 2-hydroxy-4-methylbenzoate

amino 2-hydroxy-4-methylbenzoate (PubChem CID 174368722) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is amino 2-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Nameamino 2-hydroxy-4-methylbenzoate
PubChem CID174368722
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Nameamino 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)ON)c(O)c1
InChIInChI=1S/C8H9NO3/c1-5-2-3-6(7(10)4-5)8(11)12-9/h2-4,10H,9H2,1H3
InChIKeyGGTNOEVUVRDLAW-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-amino-2-oxoethyl) 2-hydroxy-4-methylbenzoate
CID 2469983
[(2S)-1-amino-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 7568080
(4-tert-butyl-2,6-dimethylphenyl)methyl 2-hydroxy-4-methylbenzoate
CID 4222789
amino 2-acetamido-4-methylbenzoate
CID 175190459
[2-(dimethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7567601
amino 2-hydroxy-4-nitrosobenzoate
CID 138486238
(prop-2-enoylamino) 2-hydroxy-4-methylbenzoate
CID 174452261
ethane;2-hydroxy-4-methylbenzoic acid
CID 145280120
(4-fluorophenyl)methyl 2-hydroxy-4-methylbenzoate
CID 7290825
amino 2-hydroxybenzoate
CID 12598418
2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone
CID 68538226
(2-morpholin-4-yl-2-oxoethyl) 2-hydroxy-4-methylbenzoate
CID 2611661

Frequently Asked Questions

What is the IUPAC name of amino 2-hydroxy-4-methylbenzoate?
The IUPAC name of amino 2-hydroxy-4-methylbenzoate (CID 174368722) is amino 2-hydroxy-4-methylbenzoate.
What is the SMILES notation for amino 2-hydroxy-4-methylbenzoate?
The canonical SMILES for amino 2-hydroxy-4-methylbenzoate is Cc1ccc(C(=O)ON)c(O)c1.
What is the InChIKey of amino 2-hydroxy-4-methylbenzoate?
The InChIKey is GGTNOEVUVRDLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-5-2-3-6(7(10)4-5)8(11)12-9/h2-4,10H,9H2,1H3.
What are the key properties of amino 2-hydroxy-4-methylbenzoate?
amino 2-hydroxy-4-methylbenzoate has a molecular weight of 167.16 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-hydroxy-4-methylbenzoate is sourced from PubChem (CID 174368722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).