methyl 4-amino-2-[(3-methyl-2-pyridinyl)methoxy]benzoate

C15H16N2O3 — CID 106955000

IUPACmethyl 4-amino-2-[(3-methyl-2-pyridinyl)methoxy]benzoate
SMILESCOC(=O)c1ccc(N)cc1OCc1ncccc1C
InChIInChI=1S/C15H16N2O3/c1-10-4-3-7-17-13(10)9-20-14-8-11(16)5-6-12(14)15(18)19-2/h3-8H,9,16H2,1-2H3
InChIKeyTUETXFZDUIPVLA-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.34
Rot. Bonds4

About methyl 4-amino-2-[(3-methyl-2-pyridinyl)methoxy]benzoate

methyl 4-amino-2-[(3-methyl-2-pyridinyl)methoxy]benzoate (PubChem CID 106955000) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 4-amino-2-[(3-methyl-2-pyridinyl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-amino-2-[(3-methyl-2-pyridinyl)methoxy]benzoate
PubChem CID106955000
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namemethyl 4-amino-2-[(3-methyl-2-pyridinyl)methoxy]benzoate
SMILESCOC(=O)c1ccc(N)cc1OCc1ncccc1C
InChIInChI=1S/C15H16N2O3/c1-10-4-3-7-17-13(10)9-20-14-8-11(16)5-6-12(14)15(18)19-2/h3-8H,9,16H2,1-2H3
InChIKeyTUETXFZDUIPVLA-UHFFFAOYSA-N
XLogP2.34
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-amino-2-(pyridin-4-ylmethoxy)benzoate
CID 106955044
(3-methyl-2-pyridinyl)methyl 4-amino-2-chlorobenzoate
CID 112550182
methyl 4-amino-2-[(4-methylphenyl)methoxy]benzoate
CID 106955007
4-methoxy-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
CID 115981695
methyl 4-amino-2-[(6-methoxy-2-pyridinyl)methoxy]benzoate
CID 106955195
methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate
CID 106954943
2-amino-5-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
CID 107077008
methyl 4-amino-2-(3-hydroxy-2-methylpropoxy)benzoate
CID 106955001
(3-methyl-2-pyridinyl)methyl 5-amino-2-methylpyridine-3-carboxylate
CID 112651177
methyl 4-amino-2-[2-(methylamino)-2-oxoethoxy]benzoate
CID 106955114
methyl 4-amino-2-(3,3-dimethylbutoxy)benzoate
CID 106955056
(3-methyl-2-pyridinyl)methyl 5-amino-2,3-dichlorobenzoate
CID 103897833

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-[(3-methyl-2-pyridinyl)methoxy]benzoate?
The IUPAC name of methyl 4-amino-2-[(3-methyl-2-pyridinyl)methoxy]benzoate (CID 106955000) is methyl 4-amino-2-[(3-methyl-2-pyridinyl)methoxy]benzoate.
What is the SMILES notation for methyl 4-amino-2-[(3-methyl-2-pyridinyl)methoxy]benzoate?
The canonical SMILES for methyl 4-amino-2-[(3-methyl-2-pyridinyl)methoxy]benzoate is COC(=O)c1ccc(N)cc1OCc1ncccc1C.
What is the InChIKey of methyl 4-amino-2-[(3-methyl-2-pyridinyl)methoxy]benzoate?
The InChIKey is TUETXFZDUIPVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-4-3-7-17-13(10)9-20-14-8-11(16)5-6-12(14)15(18)19-2/h3-8H,9,16H2,1-2H3.
What are the key properties of methyl 4-amino-2-[(3-methyl-2-pyridinyl)methoxy]benzoate?
methyl 4-amino-2-[(3-methyl-2-pyridinyl)methoxy]benzoate has a molecular weight of 272.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-[(3-methyl-2-pyridinyl)methoxy]benzoate is sourced from PubChem (CID 106955000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).