3-[(3-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid

C11H13BrN2O3 — CID 107517143

IUPAC3-[(3-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)c1ncccc1Br
InChIInChI=1S/C11H13BrN2O3/c1-11(2,6-8(15)16)14-10(17)9-7(12)4-3-5-13-9/h3-5H,6H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyZDZRNAXUYCHRBU-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.83
Rot. Bonds4

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

3-[(3-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 107517143) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 3-[(3-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[(3-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
PubChem CID107517143
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name3-[(3-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)c1ncccc1Br
InChIInChI=1S/C11H13BrN2O3/c1-11(2,6-8(15)16)14-10(17)9-7(12)4-3-5-13-9/h3-5H,6H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyZDZRNAXUYCHRBU-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3-bromopyridine-2-carbonyl)amino]-3-methylbutanoic 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-ethylpentan-3-yl)pyridine-2-carboxamide
CID 107519069
3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 107517223
2-[(3-bromopyridine-2-carbonyl)amino]-2-cyclopropylpropanoic acid
CID 107516988
3-bromo-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-2-carboxamide
CID 107519206
3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)pyridine-2-carboxamide
CID 106096469
3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide
CID 107517564
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
3-bromo-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]pyridine-2-carboxamide
CID 107525349
3-[[3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carbonyl]amino]-3-methylbutanoic acid
CID 155355418
3-bromo-N-ethoxypyridine-2-carboxamide
CID 107519636
3-bromo-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519719
3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide
CID 107526349

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of 3-[(3-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid (CID 107517143) is 3-[(3-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[(3-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[(3-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid is CC(C)(CC(=O)O)NC(=O)c1ncccc1Br.
What is the InChIKey of 3-[(3-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is ZDZRNAXUYCHRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-11(2,6-8(15)16)14-10(17)9-7(12)4-3-5-13-9/h3-5H,6H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 3-[(3-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid?
3-[(3-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 301.14 g/mol, XLogP of 1.83, 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]-3-methylbutanoic acid is sourced from PubChem (CID 107517143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).