methyl 3-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]propanoate

C11H16N2O3 — CID 107073197

IUPACmethyl 3-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]propanoate
SMILESCOC(=O)CCn1c(C)ccc(CN)c1=O
InChIInChI=1S/C11H16N2O3/c1-8-3-4-9(7-12)11(15)13(8)6-5-10(14)16-2/h3-4H,5-7,12H2,1-2H3
InChIKeyFQXYWTFWVRYIHC-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.18
Rot. Bonds4

About methyl 3-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]propanoate

methyl 3-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]propanoate (PubChem CID 107073197) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 3-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]propanoate
PubChem CID107073197
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namemethyl 3-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]propanoate
SMILESCOC(=O)CCn1c(C)ccc(CN)c1=O
InChIInChI=1S/C11H16N2O3/c1-8-3-4-9(7-12)11(15)13(8)6-5-10(14)16-2/h3-4H,5-7,12H2,1-2H3
InChIKeyFQXYWTFWVRYIHC-UHFFFAOYSA-N
XLogP0.18
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 ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]propanoate?
The IUPAC name of methyl 3-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]propanoate (CID 107073197) is methyl 3-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]propanoate.
What is the SMILES notation for methyl 3-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]propanoate?
The canonical SMILES for methyl 3-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]propanoate is COC(=O)CCn1c(C)ccc(CN)c1=O.
What is the InChIKey of methyl 3-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]propanoate?
The InChIKey is FQXYWTFWVRYIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8-3-4-9(7-12)11(15)13(8)6-5-10(14)16-2/h3-4H,5-7,12H2,1-2H3.
What are the key properties of methyl 3-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]propanoate?
methyl 3-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]propanoate has a molecular weight of 224.26 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]propanoate is sourced from PubChem (CID 107073197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).