2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetic acid

C10H11BrN2O4 — CID 43245240

IUPAC2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C10H11BrN2O4/c1-12(6-10(16)17)9(15)5-13-4-7(11)2-3-8(13)14/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyKIBSODWNXWOVIK-UHFFFAOYSA-N
MW303.11 g/mol
LogP0.15
Rot. Bonds4

About 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetic acid

2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetic acid (PubChem CID 43245240) has the molecular formula C10H11BrN2O4 and a molecular weight of 303.11 g/mol. Its IUPAC name is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetic acid
PubChem CID43245240
Molecular FormulaC10H11BrN2O4
Molecular Weight303.11 g/mol
Exact Mass301.99
IUPAC Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C10H11BrN2O4/c1-12(6-10(16)17)9(15)5-13-4-7(11)2-3-8(13)14/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyKIBSODWNXWOVIK-UHFFFAOYSA-N
XLogP0.15
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Bromo-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 118877896
(2R)-2-(3-bromo-2-oxo-1-pyridinyl)propanoic acid
CID 49855731
2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265277
2-(5-Bromo-2-oxo-1-pyridinyl)-2-fluoroacetic acid
CID 81296547
2-(5-Bromo-2-oxopyridin-1(2H)-yl)acetic acid
CID 16778801
methyl 2-(5-bromo-2-oxopyridin-1(2H)-yl)acetate
CID 28834262
2-(5-Bromo-2-oxopyridin-1(2H)-yl)propanoic acid
CID 58070508
2-(5-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide
CID 60627635
2-(3-Bromo-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 69106207
2-(3-Bromo-2-methyl-6-oxo-1-pyridinyl)acetic acid
CID 82146602
2-(4-Bromo-2-oxo-1-pyridinyl)propanoic acid
CID 118877913
(5-Bromo-1-methyl-2-oxo-3-pyridinyl)-methylcarbamic acid
CID 135211040

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetic acid (CID 43245240) is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetic acid?
The InChIKey is KIBSODWNXWOVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O4/c1-12(6-10(16)17)9(15)5-13-4-7(11)2-3-8(13)14/h2-4H,5-6H2,1H3,(H,16,17).
What are the key properties of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetic acid?
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetic acid has a molecular weight of 303.11 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetic acid is sourced from PubChem (CID 43245240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).