butan-2-yl 2-(5-amino-2-oxo-1-pyridinyl)acetate

C11H16N2O3 — CID 62816019

IUPACbutan-2-yl 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESCCC(C)OC(=O)Cn1cc(N)ccc1=O
InChIInChI=1S/C11H16N2O3/c1-3-8(2)16-11(15)7-13-6-9(12)4-5-10(13)14/h4-6,8H,3,7,12H2,1-2H3
InChIKeyWEYLQTHENKAMAK-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.77
Rot. Bonds4

About butan-2-yl 2-(5-amino-2-oxo-1-pyridinyl)acetate

butan-2-yl 2-(5-amino-2-oxo-1-pyridinyl)acetate (PubChem CID 62816019) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is butan-2-yl 2-(5-amino-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Namebutan-2-yl 2-(5-amino-2-oxo-1-pyridinyl)acetate
PubChem CID62816019
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namebutan-2-yl 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESCCC(C)OC(=O)Cn1cc(N)ccc1=O
InChIInChI=1S/C11H16N2O3/c1-3-8(2)16-11(15)7-13-6-9(12)4-5-10(13)14/h4-6,8H,3,7,12H2,1-2H3
InChIKeyWEYLQTHENKAMAK-UHFFFAOYSA-N
XLogP0.77
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The IUPAC name of butan-2-yl 2-(5-amino-2-oxo-1-pyridinyl)acetate (CID 62816019) is butan-2-yl 2-(5-amino-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for butan-2-yl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for butan-2-yl 2-(5-amino-2-oxo-1-pyridinyl)acetate is CCC(C)OC(=O)Cn1cc(N)ccc1=O.
What is the InChIKey of butan-2-yl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The InChIKey is WEYLQTHENKAMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-8(2)16-11(15)7-13-6-9(12)4-5-10(13)14/h4-6,8H,3,7,12H2,1-2H3.
What are the key properties of butan-2-yl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
butan-2-yl 2-(5-amino-2-oxo-1-pyridinyl)acetate has a molecular weight of 224.26 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-(5-amino-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 62816019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).