tert-butyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate

C12H18N2O3 — CID 10490115

IUPACtert-butyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate
SMILESCc1ccc(N)c(=O)n1CC(=O)OC(C)(C)C
InChIInChI=1S/C12H18N2O3/c1-8-5-6-9(13)11(16)14(8)7-10(15)17-12(2,3)4/h5-6H,7,13H2,1-4H3
InChIKeyYJJWLKMRFAHKNV-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.08
Rot. Bonds2

About tert-butyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate

tert-butyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate (PubChem CID 10490115) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is tert-butyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate
PubChem CID10490115
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nametert-butyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate
SMILESCc1ccc(N)c(=O)n1CC(=O)OC(C)(C)C
InChIInChI=1S/C12H18N2O3/c1-8-5-6-9(13)11(16)14(8)7-10(15)17-12(2,3)4/h5-6H,7,13H2,1-4H3
InChIKeyYJJWLKMRFAHKNV-UHFFFAOYSA-N
XLogP1.08
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate?
The IUPAC name of tert-butyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate (CID 10490115) is tert-butyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for tert-butyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for tert-butyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate is Cc1ccc(N)c(=O)n1CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate?
The InChIKey is YJJWLKMRFAHKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-5-6-9(13)11(16)14(8)7-10(15)17-12(2,3)4/h5-6H,7,13H2,1-4H3.
What are the key properties of tert-butyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate?
tert-butyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate has a molecular weight of 238.29 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 10490115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).