methyl 5-amino-2-hydroxy-3-methoxy-4,6-dimethylbenzoate

C11H15NO4 — CID 84689679

IUPACmethyl 5-amino-2-hydroxy-3-methoxy-4,6-dimethylbenzoate
SMILESCOC(=O)c1c(C)c(N)c(C)c(OC)c1O
InChIInChI=1S/C11H15NO4/c1-5-7(11(14)16-4)9(13)10(15-3)6(2)8(5)12/h13H,12H2,1-4H3
InChIKeyYJDHDAVFQSALBW-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.39
Rot. Bonds2

About methyl 5-amino-2-hydroxy-3-methoxy-4,6-dimethylbenzoate

methyl 5-amino-2-hydroxy-3-methoxy-4,6-dimethylbenzoate (PubChem CID 84689679) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is methyl 5-amino-2-hydroxy-3-methoxy-4,6-dimethylbenzoate.

Molecular Properties

Compound Namemethyl 5-amino-2-hydroxy-3-methoxy-4,6-dimethylbenzoate
PubChem CID84689679
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namemethyl 5-amino-2-hydroxy-3-methoxy-4,6-dimethylbenzoate
SMILESCOC(=O)c1c(C)c(N)c(C)c(OC)c1O
InChIInChI=1S/C11H15NO4/c1-5-7(11(14)16-4)9(13)10(15-3)6(2)8(5)12/h13H,12H2,1-4H3
InChIKeyYJDHDAVFQSALBW-UHFFFAOYSA-N
XLogP1.39
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-6-fluoro-5-hydroxy-3-methoxy-4-methylbenzoate
CID 71715743
methyl 2-amino-6-hydroxy-3,4-dimethoxybenzoate
CID 84691006
methyl 3-amino-4-hydroxy-2-methoxy-5-methylbenzoate
CID 84734505
dipropyl 5-amino-2-hydroxy-4,6-dimethylbenzene-1,3-dicarboxylate
CID 56971607
methyl 5-[(2,4-dimethoxy-5-methoxycarbonyl-3,6-dimethylphenyl)methyl]-2,4-dihydroxy-3,6-dimethylbenzoate
CID 10670370
methyl 2-amino-3-ethyl-6-hydroxy-5-methoxybenzoate
CID 84790003
methyl 4-amino-3-methoxy-2,5-dimethylbenzoate
CID 84780550
methyl 3-chloro-2-hydroxy-4,5,6-trimethoxybenzoate
CID 10612541
methyl 3,5-dichloro-2-hydroxy-4,6-dimethoxybenzoate
CID 154361957
methyl 2,3,6-trifluoro-4-hydroxy-5-methoxybenzoate
CID 174654457
trimethyl 4,5,6-trimethylbenzene-1,2,3-tricarboxylate
CID 58142568
methyl 3,5-dibromo-2-hydroxy-6-methyl-4-(2,4,6-tribromo-3-hydroxy-5-methylphenoxy)benzoate
CID 71665372

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-hydroxy-3-methoxy-4,6-dimethylbenzoate?
The IUPAC name of methyl 5-amino-2-hydroxy-3-methoxy-4,6-dimethylbenzoate (CID 84689679) is methyl 5-amino-2-hydroxy-3-methoxy-4,6-dimethylbenzoate.
What is the SMILES notation for methyl 5-amino-2-hydroxy-3-methoxy-4,6-dimethylbenzoate?
The canonical SMILES for methyl 5-amino-2-hydroxy-3-methoxy-4,6-dimethylbenzoate is COC(=O)c1c(C)c(N)c(C)c(OC)c1O.
What is the InChIKey of methyl 5-amino-2-hydroxy-3-methoxy-4,6-dimethylbenzoate?
The InChIKey is YJDHDAVFQSALBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-5-7(11(14)16-4)9(13)10(15-3)6(2)8(5)12/h13H,12H2,1-4H3.
What are the key properties of methyl 5-amino-2-hydroxy-3-methoxy-4,6-dimethylbenzoate?
methyl 5-amino-2-hydroxy-3-methoxy-4,6-dimethylbenzoate has a molecular weight of 225.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-hydroxy-3-methoxy-4,6-dimethylbenzoate is sourced from PubChem (CID 84689679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).