3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid

C11H13BrN2O3 — CID 107517223

IUPAC3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)c1ncccc1Br)C(=O)O
InChIInChI=1S/C11H13BrN2O3/c1-11(2,10(16)17)6-14-9(15)8-7(12)4-3-5-13-8/h3-5H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyOPKJFMTYXIAQJQ-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.68
Rot. Bonds4

About 3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid

3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 107517223) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
PubChem CID107517223
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)c1ncccc1Br)C(=O)O
InChIInChI=1S/C11H13BrN2O3/c1-11(2,10(16)17)6-14-9(15)8-7(12)4-3-5-13-8/h3-5H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyOPKJFMTYXIAQJQ-UHFFFAOYSA-N
XLogP1.68
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic 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

3-bromo-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-2-carboxamide
CID 107519206
3-[(3-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 107517143
3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide
CID 107517564
3-bromo-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide
CID 107518771
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-hydroxypyridine-2-carboxamide
CID 104696924
2-[(3-bromopyridine-2-carbonyl)amino]-2-cyclopropylpropanoic acid
CID 107516988
2,2-dimethyl-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 120527844
3-bromo-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 107519069
3-bromo-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide
CID 107519736
3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide
CID 107517566
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
3-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide
CID 107519128

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid (CID 107517223) is 3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)c1ncccc1Br)C(=O)O.
What is the InChIKey of 3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is OPKJFMTYXIAQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-11(2,10(16)17)6-14-9(15)8-7(12)4-3-5-13-8/h3-5H,6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid?
3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 301.14 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 107517223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).