methyl 2-(2-amino-3-methyl-4-pyridinyl)acetate

C9H12N2O2 — CID 130867118

IUPACmethyl 2-(2-amino-3-methyl-4-pyridinyl)acetate
SMILESCOC(=O)Cc1ccnc(N)c1C
InChIInChI=1S/C9H12N2O2/c1-6-7(5-8(12)13-2)3-4-11-9(6)10/h3-4H,5H2,1-2H3,(H2,10,11)
InChIKeyGKKYUEMPVRNUFF-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.69
Rot. Bonds2

About methyl 2-(2-amino-3-methyl-4-pyridinyl)acetate

methyl 2-(2-amino-3-methyl-4-pyridinyl)acetate (PubChem CID 130867118) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is methyl 2-(2-amino-3-methyl-4-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-3-methyl-4-pyridinyl)acetate
PubChem CID130867118
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Namemethyl 2-(2-amino-3-methyl-4-pyridinyl)acetate
SMILESCOC(=O)Cc1ccnc(N)c1C
InChIInChI=1S/C9H12N2O2/c1-6-7(5-8(12)13-2)3-4-11-9(6)10/h3-4H,5H2,1-2H3,(H2,10,11)
InChIKeyGKKYUEMPVRNUFF-UHFFFAOYSA-N
XLogP0.69
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-amino-2-methyl-4-pyridinyl)acetate
CID 130681269
methyl 2-[2-amino-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 133098182
methyl 2-(3-amino-2-cyano-4-pyridinyl)acetate
CID 130777634
ethyl 2-(2-amino-3-bromo-4-pyridinyl)acetate
CID 133098465
ethyl 2-(2-amino-3-fluoro-4-pyridinyl)acetate
CID 133096427
methyl 2-(2-bromo-3-hydroxy-4-pyridinyl)acetate
CID 54401344
methyl 2-(3-bromo-2-chloro-4-pyridinyl)acetate
CID 130923502
methyl 2-(3-bromo-2-fluoro-4-pyridinyl)acetate
CID 130836925
methyl 2-(2-aminofuran-3-yl)acetate
CID 57017182
methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556
methyl 2-(8-methoxy-4-methylquinolin-5-yl)acetate
CID 82575093
ethane;methyl 2-(4-methyl-2-pyridinyl)acetate
CID 144506268

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-3-methyl-4-pyridinyl)acetate?
The IUPAC name of methyl 2-(2-amino-3-methyl-4-pyridinyl)acetate (CID 130867118) is methyl 2-(2-amino-3-methyl-4-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(2-amino-3-methyl-4-pyridinyl)acetate?
The canonical SMILES for methyl 2-(2-amino-3-methyl-4-pyridinyl)acetate is COC(=O)Cc1ccnc(N)c1C.
What is the InChIKey of methyl 2-(2-amino-3-methyl-4-pyridinyl)acetate?
The InChIKey is GKKYUEMPVRNUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-7(5-8(12)13-2)3-4-11-9(6)10/h3-4H,5H2,1-2H3,(H2,10,11).
What are the key properties of methyl 2-(2-amino-3-methyl-4-pyridinyl)acetate?
methyl 2-(2-amino-3-methyl-4-pyridinyl)acetate has a molecular weight of 180.21 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-3-methyl-4-pyridinyl)acetate is sourced from PubChem (CID 130867118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).