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

C11H13BrN2O4 — CID 43406961

IUPACmethyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C11H13BrN2O4/c1-13(7-11(17)18-2)10(16)6-14-5-8(12)3-4-9(14)15/h3-5H,6-7H2,1-2H3
InChIKeyBMFZPHGNVLJHAC-UHFFFAOYSA-N
MW317.14 g/mol
LogP0.24
Rot. Bonds4

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

methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate (PubChem CID 43406961) has the molecular formula C11H13BrN2O4 and a molecular weight of 317.14 g/mol. Its IUPAC name is methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate
PubChem CID43406961
Molecular FormulaC11H13BrN2O4
Molecular Weight317.14 g/mol
Exact Mass316.01
IUPAC Namemethyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C11H13BrN2O4/c1-13(7-11(17)18-2)10(16)6-14-5-8(12)3-4-9(14)15/h3-5H,6-7H2,1-2H3
InChIKeyBMFZPHGNVLJHAC-UHFFFAOYSA-N
XLogP0.24
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate (CID 43406961) is methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate is COC(=O)CN(C)C(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate?
The InChIKey is BMFZPHGNVLJHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O4/c1-13(7-11(17)18-2)10(16)6-14-5-8(12)3-4-9(14)15/h3-5H,6-7H2,1-2H3.
What are the key properties of methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate?
methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate has a molecular weight of 317.14 g/mol, XLogP of 0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate is sourced from PubChem (CID 43406961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).