methyl 3-amino-5-methoxy-4-methylbenzoate

C10H13NO3 — CID 14760985

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

About methyl 3-amino-5-methoxy-4-methylbenzoate

methyl 3-amino-5-methoxy-4-methylbenzoate (PubChem CID 14760985) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 3-amino-5-methoxy-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-amino-5-methoxy-4-methylbenzoate
PubChem CID14760985
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namemethyl 3-amino-5-methoxy-4-methylbenzoate
SMILESCOC(=O)c1cc(N)c(C)c(OC)c1
InChIInChI=1S/C10H13NO3/c1-6-8(11)4-7(10(12)14-3)5-9(6)13-2/h4-5H,11H2,1-3H3
InChIKeyLRFGDXCXNZOUAS-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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Related Compounds

methyl 3-amino-5-methoxy-4-(methylamino)benzoate
CID 129205768
methyl 4-amino-3-methoxybenzoate
CID 602411
methyl 3-amino-5-cyano-4-methylbenzoate
CID 162342400
methyl 3-amino-4-(ethylamino)-5-methoxybenzoate
CID 129231428
methyl 3-amino-5-methoxy-4-nitrobenzoate
CID 171030677
ethane;methyl 4-chloro-3-methoxy-5-methylbenzoate
CID 145414016
1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate
CID 11402920
methyl 4-amino-3-(aminomethyl)-5-methoxybenzoate
CID 122501341
methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
CID 11414943
ethyl 3-amino-4-bromo-5-methoxybenzoate
CID 171021080
methyl 3,4-diamino-5-(difluoromethoxy)benzoate
CID 171030762
methyl 3-amino-4-(2-methoxy-4-methylphenoxy)benzoate
CID 61307558

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-methoxy-4-methylbenzoate?
The IUPAC name of methyl 3-amino-5-methoxy-4-methylbenzoate (CID 14760985) is methyl 3-amino-5-methoxy-4-methylbenzoate.
What is the SMILES notation for methyl 3-amino-5-methoxy-4-methylbenzoate?
The canonical SMILES for methyl 3-amino-5-methoxy-4-methylbenzoate is COC(=O)c1cc(N)c(C)c(OC)c1.
What is the InChIKey of methyl 3-amino-5-methoxy-4-methylbenzoate?
The InChIKey is LRFGDXCXNZOUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6-8(11)4-7(10(12)14-3)5-9(6)13-2/h4-5H,11H2,1-3H3.
What are the key properties of methyl 3-amino-5-methoxy-4-methylbenzoate?
methyl 3-amino-5-methoxy-4-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 3-amino-5-methoxy-4-methylbenzoate is sourced from PubChem (CID 14760985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).