methyl 3-amino-5-methoxy-4-(methylamino)benzoate

C10H14N2O3 — CID 129205768

IUPACmethyl 3-amino-5-methoxy-4-(methylamino)benzoate
SMILESCNc1c(N)cc(C(=O)OC)cc1OC
InChIInChI=1S/C10H14N2O3/c1-12-9-7(11)4-6(10(13)15-3)5-8(9)14-2/h4-5,12H,11H2,1-3H3
InChIKeyHIZRUIRMVQHKMB-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.11
Rot. Bonds3

About methyl 3-amino-5-methoxy-4-(methylamino)benzoate

methyl 3-amino-5-methoxy-4-(methylamino)benzoate (PubChem CID 129205768) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 3-amino-5-methoxy-4-(methylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-amino-5-methoxy-4-(methylamino)benzoate
PubChem CID129205768
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namemethyl 3-amino-5-methoxy-4-(methylamino)benzoate
SMILESCNc1c(N)cc(C(=O)OC)cc1OC
InChIInChI=1S/C10H14N2O3/c1-12-9-7(11)4-6(10(13)15-3)5-8(9)14-2/h4-5,12H,11H2,1-3H3
InChIKeyHIZRUIRMVQHKMB-UHFFFAOYSA-N
XLogP1.11
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.11
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 3-amino-5-methoxy-4-methylbenzoate
CID 14760985
methyl 3-amino-4-(ethylamino)-5-methoxybenzoate
CID 129231428
methyl 4-amino-3-methoxybenzoate
CID 602411
methyl 3-amino-5-methoxy-4-nitrobenzoate
CID 171030677
methyl 4-amino-3-(aminomethyl)-5-methoxybenzoate
CID 122501341
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 3,4-diamino-5-(difluoromethoxy)benzoate
CID 171030762
methyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate
CID 11528794
methyl 3-amino-5-cyano-4-methylbenzoate
CID 162342400
2-amino-2-(2,3-dimethoxy-5-methoxycarbonylphenyl)acetic acid
CID 117426052
methyl 5-amino-6-methylsulfanylpyridine-3-carboxylate
CID 23204634

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-methoxy-4-(methylamino)benzoate?
The IUPAC name of methyl 3-amino-5-methoxy-4-(methylamino)benzoate (CID 129205768) is methyl 3-amino-5-methoxy-4-(methylamino)benzoate.
What is the SMILES notation for methyl 3-amino-5-methoxy-4-(methylamino)benzoate?
The canonical SMILES for methyl 3-amino-5-methoxy-4-(methylamino)benzoate is CNc1c(N)cc(C(=O)OC)cc1OC.
What is the InChIKey of methyl 3-amino-5-methoxy-4-(methylamino)benzoate?
The InChIKey is HIZRUIRMVQHKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-12-9-7(11)4-6(10(13)15-3)5-8(9)14-2/h4-5,12H,11H2,1-3H3.
What are the key properties of methyl 3-amino-5-methoxy-4-(methylamino)benzoate?
methyl 3-amino-5-methoxy-4-(methylamino)benzoate has a molecular weight of 210.23 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-methoxy-4-(methylamino)benzoate is sourced from PubChem (CID 129205768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).