methyl 4-amino-2-methoxy-5-methylbenzoate

C10H13NO3 — CID 130064408

IUPACmethyl 4-amino-2-methoxy-5-methylbenzoate
SMILESCOC(=O)c1cc(C)c(N)cc1OC
InChIInChI=1S/C10H13NO3/c1-6-4-7(10(12)14-3)9(13-2)5-8(6)11/h4-5H,11H2,1-3H3
InChIKeyHQZVJDYJHJBPFW-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.37
Rot. Bonds2

About methyl 4-amino-2-methoxy-5-methylbenzoate

methyl 4-amino-2-methoxy-5-methylbenzoate (PubChem CID 130064408) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 4-amino-2-methoxy-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-amino-2-methoxy-5-methylbenzoate
PubChem CID130064408
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namemethyl 4-amino-2-methoxy-5-methylbenzoate
SMILESCOC(=O)c1cc(C)c(N)cc1OC
InChIInChI=1S/C10H13NO3/c1-6-4-7(10(12)14-3)9(13-2)5-8(6)11/h4-5H,11H2,1-3H3
InChIKeyHQZVJDYJHJBPFW-UHFFFAOYSA-N
XLogP1.37
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-methoxy-5-methylbenzoate?
The IUPAC name of methyl 4-amino-2-methoxy-5-methylbenzoate (CID 130064408) is methyl 4-amino-2-methoxy-5-methylbenzoate.
What is the SMILES notation for methyl 4-amino-2-methoxy-5-methylbenzoate?
The canonical SMILES for methyl 4-amino-2-methoxy-5-methylbenzoate is COC(=O)c1cc(C)c(N)cc1OC.
What is the InChIKey of methyl 4-amino-2-methoxy-5-methylbenzoate?
The InChIKey is HQZVJDYJHJBPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6-4-7(10(12)14-3)9(13-2)5-8(6)11/h4-5H,11H2,1-3H3.
What are the key properties of methyl 4-amino-2-methoxy-5-methylbenzoate?
methyl 4-amino-2-methoxy-5-methylbenzoate has a molecular weight of 195.22 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-methoxy-5-methylbenzoate is sourced from PubChem (CID 130064408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).