methyl 2-amino-6-hydroxy-3,4-dimethoxybenzoate

C10H13NO5 — CID 84691006

IUPACmethyl 2-amino-6-hydroxy-3,4-dimethoxybenzoate
SMILESCOC(=O)c1c(O)cc(OC)c(OC)c1N
InChIInChI=1S/C10H13NO5/c1-14-6-4-5(12)7(10(13)16-3)8(11)9(6)15-2/h4,12H,11H2,1-3H3
InChIKeyJIQVICNVYFFBAH-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.78
Rot. Bonds3

About methyl 2-amino-6-hydroxy-3,4-dimethoxybenzoate

methyl 2-amino-6-hydroxy-3,4-dimethoxybenzoate (PubChem CID 84691006) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is methyl 2-amino-6-hydroxy-3,4-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-amino-6-hydroxy-3,4-dimethoxybenzoate
PubChem CID84691006
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Namemethyl 2-amino-6-hydroxy-3,4-dimethoxybenzoate
SMILESCOC(=O)c1c(O)cc(OC)c(OC)c1N
InChIInChI=1S/C10H13NO5/c1-14-6-4-5(12)7(10(13)16-3)8(11)9(6)15-2/h4,12H,11H2,1-3H3
InChIKeyJIQVICNVYFFBAH-UHFFFAOYSA-N
XLogP0.78
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3,4,6-trimethoxy-2-methylbenzoate
CID 14037919
methyl 2,3,4-trimethoxy-6-methylbenzoate
CID 59466592
methyl 6-amino-3,4-dimethoxy-2-propan-2-yloxybenzoate
CID 18470661
methyl 3-formyl-2,6-dihydroxy-4-methoxybenzoate
CID 71332014
methyl 2-amino-6-fluoro-5-methoxy-3-methylbenzoate
CID 102741920
methyl 2-amino-6-fluoro-5-hydroxy-3-methoxy-4-methylbenzoate
CID 71715743
2,3,5,6-tetramethoxyaniline
CID 19093015
1-(2-chloro-6-hydroxy-3,4-dimethoxyphenyl)ethanone
CID 84693978
methyl 4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate
CID 18981335
methyl 2-amino-3-ethyl-6-hydroxy-5-methoxybenzoate
CID 84790003
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829
3-amino-2,4,5-trimethoxybenzoic acid
CID 63023847

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-hydroxy-3,4-dimethoxybenzoate?
The IUPAC name of methyl 2-amino-6-hydroxy-3,4-dimethoxybenzoate (CID 84691006) is methyl 2-amino-6-hydroxy-3,4-dimethoxybenzoate.
What is the SMILES notation for methyl 2-amino-6-hydroxy-3,4-dimethoxybenzoate?
The canonical SMILES for methyl 2-amino-6-hydroxy-3,4-dimethoxybenzoate is COC(=O)c1c(O)cc(OC)c(OC)c1N.
What is the InChIKey of methyl 2-amino-6-hydroxy-3,4-dimethoxybenzoate?
The InChIKey is JIQVICNVYFFBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c1-14-6-4-5(12)7(10(13)16-3)8(11)9(6)15-2/h4,12H,11H2,1-3H3.
What are the key properties of methyl 2-amino-6-hydroxy-3,4-dimethoxybenzoate?
methyl 2-amino-6-hydroxy-3,4-dimethoxybenzoate has a molecular weight of 227.22 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-hydroxy-3,4-dimethoxybenzoate is sourced from PubChem (CID 84691006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).