3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid

C10H11BrN2O4 — CID 43354889

IUPAC3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C10H11BrN2O4/c11-7-1-2-9(15)13(5-7)6-8(14)12-4-3-10(16)17/h1-2,5H,3-4,6H2,(H,12,14)(H,16,17)
InChIKeyFJJGSCGKAUZEMO-UHFFFAOYSA-N
MW303.11 g/mol
LogP0.20
Rot. Bonds5

About 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid

3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid (PubChem CID 43354889) has the molecular formula C10H11BrN2O4 and a molecular weight of 303.11 g/mol. Its IUPAC name is 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid
PubChem CID43354889
Molecular FormulaC10H11BrN2O4
Molecular Weight303.11 g/mol
Exact Mass301.99
IUPAC Name3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C10H11BrN2O4/c11-7-1-2-9(15)13(5-7)6-8(14)12-4-3-10(16)17/h1-2,5H,3-4,6H2,(H,12,14)(H,16,17)
InChIKeyFJJGSCGKAUZEMO-UHFFFAOYSA-N
XLogP0.20
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Bromo-2-oxo-1-pyridinyl)ethylcarbamic acid
CID 69233778
Methyl 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoate
CID 40213141
2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]acetic acid
CID 43132365
2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid
CID 43245234
4-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]butanoic acid
CID 43245237
3-[3-(2-Oxo-1-pyridinyl)propanoylamino]propanoic acid
CID 43354876
3-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]butanoic acid
CID 43360977
2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-hydroxypropyl)acetamide
CID 43427916
2-[[2-[3-(2-Oxo-1-pyridinyl)propanoylamino]acetyl]amino]acetic acid
CID 43465443
2-[[2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid
CID 43465461
2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]butanoic acid
CID 43469495
3-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]-ethylamino]propanoic acid
CID 54899017

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid (CID 43354889) is 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid is O=C(O)CCNC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid?
The InChIKey is FJJGSCGKAUZEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O4/c11-7-1-2-9(15)13(5-7)6-8(14)12-4-3-10(16)17/h1-2,5H,3-4,6H2,(H,12,14)(H,16,17).
What are the key properties of 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid?
3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid has a molecular weight of 303.11 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 43354889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).