methyl 2-amino-3-ethyl-6-hydroxy-5-methoxybenzoate

C11H15NO4 — CID 84790003

IUPACmethyl 2-amino-3-ethyl-6-hydroxy-5-methoxybenzoate
SMILESCCc1cc(OC)c(O)c(C(=O)OC)c1N
InChIInChI=1S/C11H15NO4/c1-4-6-5-7(15-2)10(13)8(9(6)12)11(14)16-3/h5,13H,4,12H2,1-3H3
InChIKeyGZXRDWMPRKJFRC-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.33
Rot. Bonds3

About methyl 2-amino-3-ethyl-6-hydroxy-5-methoxybenzoate

methyl 2-amino-3-ethyl-6-hydroxy-5-methoxybenzoate (PubChem CID 84790003) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is methyl 2-amino-3-ethyl-6-hydroxy-5-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-amino-3-ethyl-6-hydroxy-5-methoxybenzoate
PubChem CID84790003
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namemethyl 2-amino-3-ethyl-6-hydroxy-5-methoxybenzoate
SMILESCCc1cc(OC)c(O)c(C(=O)OC)c1N
InChIInChI=1S/C11H15NO4/c1-4-6-5-7(15-2)10(13)8(9(6)12)11(14)16-3/h5,13H,4,12H2,1-3H3
InChIKeyGZXRDWMPRKJFRC-UHFFFAOYSA-N
XLogP1.33
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-amino-2-hydroxy-3-methoxybenzoate;propane
CID 169174711
2-bromo-3-ethyl-6-hydroxy-5-methoxybenzoic acid
CID 84714045
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
methyl 2-amino-6-hydroxy-3,4-dimethoxybenzoate
CID 84691006
4-ethyl-6-methoxy-3-methylbenzene-1,2-diamine
CID 135124005
methyl 2-amino-6-fluoro-5-methoxy-3-methylbenzoate
CID 102741920
methyl 2-amino-6-bromo-5-methoxy-3-methylbenzoate
CID 151904268
2-amino-4-[(3-amino-4-hydroxy-2,5-dimethoxyphenyl)methyl]-3,6-dimethoxyphenol
CID 59194580
1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate
CID 11402920
methyl 2-amino-3-(5-ethyl-2-hydroxy-3-methoxyphenyl)propanoate
CID 170884311
1-(5-ethyl-2-hydroxy-3-methoxyphenyl)propan-2-one
CID 84676009
methyl 4-amino-3-(aminomethyl)-5-methoxybenzoate
CID 122501341

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-ethyl-6-hydroxy-5-methoxybenzoate?
The IUPAC name of methyl 2-amino-3-ethyl-6-hydroxy-5-methoxybenzoate (CID 84790003) is methyl 2-amino-3-ethyl-6-hydroxy-5-methoxybenzoate.
What is the SMILES notation for methyl 2-amino-3-ethyl-6-hydroxy-5-methoxybenzoate?
The canonical SMILES for methyl 2-amino-3-ethyl-6-hydroxy-5-methoxybenzoate is CCc1cc(OC)c(O)c(C(=O)OC)c1N.
What is the InChIKey of methyl 2-amino-3-ethyl-6-hydroxy-5-methoxybenzoate?
The InChIKey is GZXRDWMPRKJFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-4-6-5-7(15-2)10(13)8(9(6)12)11(14)16-3/h5,13H,4,12H2,1-3H3.
What are the key properties of methyl 2-amino-3-ethyl-6-hydroxy-5-methoxybenzoate?
methyl 2-amino-3-ethyl-6-hydroxy-5-methoxybenzoate has a molecular weight of 225.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-ethyl-6-hydroxy-5-methoxybenzoate is sourced from PubChem (CID 84790003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).