ethyl 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]-4-methylpentanoate

C15H24N2O3 — CID 139579934

IUPACethyl 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]-4-methylpentanoate
SMILESCCOC(=O)C(CC(C)C)n1cccc(CCN)c1=O
InChIInChI=1S/C15H24N2O3/c1-4-20-15(19)13(10-11(2)3)17-9-5-6-12(7-8-16)14(17)18/h5-6,9,11,13H,4,7-8,10,16H2,1-3H3
InChIKeyZHNVKUUKVWLPLP-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.50
Rot. Bonds7

About ethyl 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]-4-methylpentanoate

ethyl 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]-4-methylpentanoate (PubChem CID 139579934) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]-4-methylpentanoate
PubChem CID139579934
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nameethyl 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]-4-methylpentanoate
SMILESCCOC(=O)C(CC(C)C)n1cccc(CCN)c1=O
InChIInChI=1S/C15H24N2O3/c1-4-20-15(19)13(10-11(2)3)17-9-5-6-12(7-8-16)14(17)18/h5-6,9,11,13H,4,7-8,10,16H2,1-3H3
InChIKeyZHNVKUUKVWLPLP-UHFFFAOYSA-N
XLogP1.50
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]-4-methylpentanoate?
The IUPAC name of ethyl 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]-4-methylpentanoate (CID 139579934) is ethyl 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]-4-methylpentanoate.
What is the SMILES notation for ethyl 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]-4-methylpentanoate?
The canonical SMILES for ethyl 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]-4-methylpentanoate is CCOC(=O)C(CC(C)C)n1cccc(CCN)c1=O.
What is the InChIKey of ethyl 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]-4-methylpentanoate?
The InChIKey is ZHNVKUUKVWLPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-20-15(19)13(10-11(2)3)17-9-5-6-12(7-8-16)14(17)18/h5-6,9,11,13H,4,7-8,10,16H2,1-3H3.
What are the key properties of ethyl 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]-4-methylpentanoate?
ethyl 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]-4-methylpentanoate has a molecular weight of 280.37 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]-4-methylpentanoate is sourced from PubChem (CID 139579934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).