methyl 2-[[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate

C11H15N3O4 — CID 55210676

IUPACmethyl 2-[[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)Cn1cc(N)ccc1=O
InChIInChI=1S/C11H15N3O4/c1-13(7-11(17)18-2)10(16)6-14-5-8(12)3-4-9(14)15/h3-5H,6-7,12H2,1-2H3
InChIKeyBGMVRSDDRRJYDG-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.94
Rot. Bonds4

About methyl 2-[[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate

methyl 2-[[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate (PubChem CID 55210676) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 2-[[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate
PubChem CID55210676
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namemethyl 2-[[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)Cn1cc(N)ccc1=O
InChIInChI=1S/C11H15N3O4/c1-13(7-11(17)18-2)10(16)6-14-5-8(12)3-4-9(14)15/h3-5H,6-7,12H2,1-2H3
InChIKeyBGMVRSDDRRJYDG-UHFFFAOYSA-N
XLogP-0.94
TPSA94.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate (CID 55210676) is methyl 2-[[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate is COC(=O)CN(C)C(=O)Cn1cc(N)ccc1=O.
What is the InChIKey of methyl 2-[[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate?
The InChIKey is BGMVRSDDRRJYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-13(7-11(17)18-2)10(16)6-14-5-8(12)3-4-9(14)15/h3-5H,6-7,12H2,1-2H3.
What are the key properties of methyl 2-[[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate?
methyl 2-[[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate has a molecular weight of 253.26 g/mol, XLogP of -0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate is sourced from PubChem (CID 55210676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).