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

C12H15BrN2O4 — CID 79792760

IUPAC2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)Cn1cc(Br)ccc1=O)C(=O)O
InChIInChI=1S/C12H15BrN2O4/c1-3-12(2,11(18)19)14-9(16)7-15-6-8(13)4-5-10(15)17/h4-6H,3,7H2,1-2H3,(H,14,16)(H,18,19)
InChIKeyUDULNNAHYYJSID-UHFFFAOYSA-N
MW331.17 g/mol
LogP0.98
Rot. Bonds5

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

2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylbutanoic acid (PubChem CID 79792760) has the molecular formula C12H15BrN2O4 and a molecular weight of 331.17 g/mol. Its IUPAC name is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylbutanoic acid
PubChem CID79792760
Molecular FormulaC12H15BrN2O4
Molecular Weight331.17 g/mol
Exact Mass330.02
IUPAC Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)Cn1cc(Br)ccc1=O)C(=O)O
InChIInChI=1S/C12H15BrN2O4/c1-3-12(2,11(18)19)14-9(16)7-15-6-8(13)4-5-10(15)17/h4-6H,3,7H2,1-2H3,(H,14,16)(H,18,19)
InChIKeyUDULNNAHYYJSID-UHFFFAOYSA-N
XLogP0.98
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide
CID 64558178
(2S)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 61144242
2-methyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]pentanoic acid
CID 119191860
(2R)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxypropanoic acid
CID 80750807
3-(5-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid
CID 79023892
N-[2-(4-bromophenyl)propan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 39613963
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(methylamino)ethyl]acetamide
CID 119503564
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]-N-propylacetamide
CID 78815021
2-(5-bromo-2-oxo-1-pyridinyl)-N-cyanoacetamide
CID 79194945
2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764818
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-methylpyrazol-4-yl)acetamide
CID 32609841

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylbutanoic acid (CID 79792760) is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylbutanoic acid is CCC(C)(NC(=O)Cn1cc(Br)ccc1=O)C(=O)O.
What is the InChIKey of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylbutanoic acid?
The InChIKey is UDULNNAHYYJSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O4/c1-3-12(2,11(18)19)14-9(16)7-15-6-8(13)4-5-10(15)17/h4-6H,3,7H2,1-2H3,(H,14,16)(H,18,19).
What are the key properties of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylbutanoic acid?
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylbutanoic acid has a molecular weight of 331.17 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 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]amino]-2-methylbutanoic acid is sourced from PubChem (CID 79792760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).