tert-butyl 2-(5-amino-2,3,4-trimethyl-6-oxo-1-pyridinyl)acetate

C14H22N2O3 — CID 22949250

IUPACtert-butyl 2-(5-amino-2,3,4-trimethyl-6-oxo-1-pyridinyl)acetate
SMILESCc1c(C)c(C)n(CC(=O)OC(C)(C)C)c(=O)c1N
InChIInChI=1S/C14H22N2O3/c1-8-9(2)12(15)13(18)16(10(8)3)7-11(17)19-14(4,5)6/h7,15H2,1-6H3
InChIKeyNDMVDPCYNGUHKV-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.70
Rot. Bonds2

About tert-butyl 2-(5-amino-2,3,4-trimethyl-6-oxo-1-pyridinyl)acetate

tert-butyl 2-(5-amino-2,3,4-trimethyl-6-oxo-1-pyridinyl)acetate (PubChem CID 22949250) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl 2-(5-amino-2,3,4-trimethyl-6-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(5-amino-2,3,4-trimethyl-6-oxo-1-pyridinyl)acetate
PubChem CID22949250
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nametert-butyl 2-(5-amino-2,3,4-trimethyl-6-oxo-1-pyridinyl)acetate
SMILESCc1c(C)c(C)n(CC(=O)OC(C)(C)C)c(=O)c1N
InChIInChI=1S/C14H22N2O3/c1-8-9(2)12(15)13(18)16(10(8)3)7-11(17)19-14(4,5)6/h7,15H2,1-6H3
InChIKeyNDMVDPCYNGUHKV-UHFFFAOYSA-N
XLogP1.70
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-amino-2,3,4-trimethyl-6-oxo-1-pyridinyl)acetate?
The IUPAC name of tert-butyl 2-(5-amino-2,3,4-trimethyl-6-oxo-1-pyridinyl)acetate (CID 22949250) is tert-butyl 2-(5-amino-2,3,4-trimethyl-6-oxo-1-pyridinyl)acetate.
What is the SMILES notation for tert-butyl 2-(5-amino-2,3,4-trimethyl-6-oxo-1-pyridinyl)acetate?
The canonical SMILES for tert-butyl 2-(5-amino-2,3,4-trimethyl-6-oxo-1-pyridinyl)acetate is Cc1c(C)c(C)n(CC(=O)OC(C)(C)C)c(=O)c1N.
What is the InChIKey of tert-butyl 2-(5-amino-2,3,4-trimethyl-6-oxo-1-pyridinyl)acetate?
The InChIKey is NDMVDPCYNGUHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-8-9(2)12(15)13(18)16(10(8)3)7-11(17)19-14(4,5)6/h7,15H2,1-6H3.
What are the key properties of tert-butyl 2-(5-amino-2,3,4-trimethyl-6-oxo-1-pyridinyl)acetate?
tert-butyl 2-(5-amino-2,3,4-trimethyl-6-oxo-1-pyridinyl)acetate has a molecular weight of 266.34 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-amino-2,3,4-trimethyl-6-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 22949250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).