2-[(5-bromo-2-pyridinyl)amino]-3,3-dimethylbutanoic acid

C11H15BrN2O2 — CID 121472169

IUPAC2-[(5-bromo-2-pyridinyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(Nc1ccc(Br)cn1)C(=O)O
InChIInChI=1S/C11H15BrN2O2/c1-11(2,3)9(10(15)16)14-8-5-4-7(12)6-13-8/h4-6,9H,1-3H3,(H,13,14)(H,15,16)
InChIKeyYFFHLYBHQMJHSD-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.76
Rot. Bonds3

About 2-[(5-bromo-2-pyridinyl)amino]-3,3-dimethylbutanoic acid

2-[(5-bromo-2-pyridinyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 121472169) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)amino]-3,3-dimethylbutanoic acid
PubChem CID121472169
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name2-[(5-bromo-2-pyridinyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(Nc1ccc(Br)cn1)C(=O)O
InChIInChI=1S/C11H15BrN2O2/c1-11(2,3)9(10(15)16)14-8-5-4-7(12)6-13-8/h4-6,9H,1-3H3,(H,13,14)(H,15,16)
InChIKeyYFFHLYBHQMJHSD-UHFFFAOYSA-N
XLogP2.76
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(5-bromo-2-pyridinyl)amino]-3,3-dimethylbutanoic 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

4-[(5-bromo-2-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498673
2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79249750
3-[(5-bromo-2-pyridinyl)amino]butanamide
CID 115684979
N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
2-bromo-N-(5-bromo-2-pyridinyl)-3-methylbutanamide
CID 43114357
(2S)-2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol;hydrochloride
CID 119031686
5-bromo-N-pentan-3-ylpyridin-2-amine
CID 28553670
2-[(5-bromo-2-pyridinyl)amino]propane-1,3-diol
CID 65314489
tert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate
CID 90190519
tert-butyl 2-[(5-bromo-2-pyridinyl)amino]acetate
CID 54591947
(3R)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 124523223
(3S)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 124523222

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)amino]-3,3-dimethylbutanoic acid (CID 121472169) is 2-[(5-bromo-2-pyridinyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)amino]-3,3-dimethylbutanoic acid is CC(C)(C)C(Nc1ccc(Br)cn1)C(=O)O.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is YFFHLYBHQMJHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-11(2,3)9(10(15)16)14-8-5-4-7(12)6-13-8/h4-6,9H,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(5-bromo-2-pyridinyl)amino]-3,3-dimethylbutanoic acid?
2-[(5-bromo-2-pyridinyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 287.16 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 121472169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).