(5-methyl-3-pyridinyl)methyl 2-(3-aminophenoxy)acetate

C15H16N2O3 — CID 102878368

IUPAC(5-methyl-3-pyridinyl)methyl 2-(3-aminophenoxy)acetate
SMILESCc1cncc(COC(=O)COc2cccc(N)c2)c1
InChIInChI=1S/C15H16N2O3/c1-11-5-12(8-17-7-11)9-20-15(18)10-19-14-4-2-3-13(16)6-14/h2-8H,9-10,16H2,1H3
InChIKeyMLHOBEXHRLNTSN-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.09
Rot. Bonds5

About (5-methyl-3-pyridinyl)methyl 2-(3-aminophenoxy)acetate

(5-methyl-3-pyridinyl)methyl 2-(3-aminophenoxy)acetate (PubChem CID 102878368) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (5-methyl-3-pyridinyl)methyl 2-(3-aminophenoxy)acetate.

Molecular Properties

Compound Name(5-methyl-3-pyridinyl)methyl 2-(3-aminophenoxy)acetate
PubChem CID102878368
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(5-methyl-3-pyridinyl)methyl 2-(3-aminophenoxy)acetate
SMILESCc1cncc(COC(=O)COc2cccc(N)c2)c1
InChIInChI=1S/C15H16N2O3/c1-11-5-12(8-17-7-11)9-20-15(18)10-19-14-4-2-3-13(16)6-14/h2-8H,9-10,16H2,1H3
InChIKeyMLHOBEXHRLNTSN-UHFFFAOYSA-N
XLogP2.09
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.09
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

(4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate
CID 61310068
(5-bromo-3-pyridinyl)methyl 3-(3-aminophenoxy)propanoate
CID 104808427
pyridin-3-ylmethyl 3-(3-aminophenoxy)propanoate
CID 61315802
(5-methyl-3-pyridinyl)methyl 3-(2-aminophenoxy)propanoate
CID 102878375
2-hydroxyethyl 2-(3-aminophenoxy)acetate
CID 61320594
(5-methyl-3-pyridinyl)methyl 5-amino-2-methylbenzoate
CID 102878370
3-[(3,5-dimethylphenyl)methoxy]aniline
CID 54909105
3-(3-aminophenoxy)-N-(5-methyl-3-pyridinyl)propanamide
CID 107584422
(3-amino-3-oxopropyl) 2-(3-aminophenoxy)acetate
CID 54979087
[3-[(5-methyl-3-pyridinyl)methoxy]phenyl]boronic acid
CID 102881779
cyclopentylmethyl 2-(3-aminophenoxy)acetate
CID 61343036
(2,4-dichlorophenyl)methyl 2-(3-aminophenoxy)acetate
CID 61321528

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-pyridinyl)methyl 2-(3-aminophenoxy)acetate?
The IUPAC name of (5-methyl-3-pyridinyl)methyl 2-(3-aminophenoxy)acetate (CID 102878368) is (5-methyl-3-pyridinyl)methyl 2-(3-aminophenoxy)acetate.
What is the SMILES notation for (5-methyl-3-pyridinyl)methyl 2-(3-aminophenoxy)acetate?
The canonical SMILES for (5-methyl-3-pyridinyl)methyl 2-(3-aminophenoxy)acetate is Cc1cncc(COC(=O)COc2cccc(N)c2)c1.
What is the InChIKey of (5-methyl-3-pyridinyl)methyl 2-(3-aminophenoxy)acetate?
The InChIKey is MLHOBEXHRLNTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-11-5-12(8-17-7-11)9-20-15(18)10-19-14-4-2-3-13(16)6-14/h2-8H,9-10,16H2,1H3.
What are the key properties of (5-methyl-3-pyridinyl)methyl 2-(3-aminophenoxy)acetate?
(5-methyl-3-pyridinyl)methyl 2-(3-aminophenoxy)acetate has a molecular weight of 272.30 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-pyridinyl)methyl 2-(3-aminophenoxy)acetate is sourced from PubChem (CID 102878368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).