butyl 2-(3-amino-4-oxo-1-pyridinyl)acetate

C11H16N2O3 — CID 82991592

IUPACbutyl 2-(3-amino-4-oxo-1-pyridinyl)acetate
SMILESCCCCOC(=O)Cn1ccc(=O)c(N)c1
InChIInChI=1S/C11H16N2O3/c1-2-3-6-16-11(15)8-13-5-4-10(14)9(12)7-13/h4-5,7H,2-3,6,8,12H2,1H3
InChIKeyBPUBOFNQELHUFS-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.77
Rot. Bonds5

About butyl 2-(3-amino-4-oxo-1-pyridinyl)acetate

butyl 2-(3-amino-4-oxo-1-pyridinyl)acetate (PubChem CID 82991592) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is butyl 2-(3-amino-4-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Namebutyl 2-(3-amino-4-oxo-1-pyridinyl)acetate
PubChem CID82991592
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namebutyl 2-(3-amino-4-oxo-1-pyridinyl)acetate
SMILESCCCCOC(=O)Cn1ccc(=O)c(N)c1
InChIInChI=1S/C11H16N2O3/c1-2-3-6-16-11(15)8-13-5-4-10(14)9(12)7-13/h4-5,7H,2-3,6,8,12H2,1H3
InChIKeyBPUBOFNQELHUFS-UHFFFAOYSA-N
XLogP0.77
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-fluoro-2-(4-oxo-1-pyridinyl)acetate
CID 81297157
ethyl 2-(4-oxopyridin-1(4H)-yl)acetate
CID 12254000
Propan-2-yl 2-(4-oxo-1-pyridinyl)acetate
CID 62881182
ethyl (Z)-3-(dimethylamino)-2-(4-oxo-1-pyridinyl)prop-2-enoate
CID 117600789
ethyl 3-(dimethylamino)-2-(4-oxopyridin-1(4H)-yl)acrylate
CID 131732877
Ethyl 2-(4-oxo-1-pyridinyl)prop-2-enoate
CID 141433288
Ethane;propan-2-yl 2-(4-oxo-1-pyridinyl)acetate
CID 145068737
Ethane;ethyl 2-(4-oxo-1-pyridinyl)acetate
CID 145068804
Ethyl 2-[(2-amino-3-oxobut-1-enyl)-methylamino]acetate
CID 176684183
Methyl 2-[(2-amino-3-oxobut-1-enyl)-methylamino]acetate
CID 176684184
ethyl 2-[[(E)-3-oxobut-1-enyl]amino]acetate
CID 10821061
Butyl 2-(4-oxo-1-pyridinyl)acetate
CID 62881356

Frequently Asked Questions

What is the IUPAC name of butyl 2-(3-amino-4-oxo-1-pyridinyl)acetate?
The IUPAC name of butyl 2-(3-amino-4-oxo-1-pyridinyl)acetate (CID 82991592) is butyl 2-(3-amino-4-oxo-1-pyridinyl)acetate.
What is the SMILES notation for butyl 2-(3-amino-4-oxo-1-pyridinyl)acetate?
The canonical SMILES for butyl 2-(3-amino-4-oxo-1-pyridinyl)acetate is CCCCOC(=O)Cn1ccc(=O)c(N)c1.
What is the InChIKey of butyl 2-(3-amino-4-oxo-1-pyridinyl)acetate?
The InChIKey is BPUBOFNQELHUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-3-6-16-11(15)8-13-5-4-10(14)9(12)7-13/h4-5,7H,2-3,6,8,12H2,1H3.
What are the key properties of butyl 2-(3-amino-4-oxo-1-pyridinyl)acetate?
butyl 2-(3-amino-4-oxo-1-pyridinyl)acetate has a molecular weight of 224.26 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(3-amino-4-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 82991592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).