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

C11H15BrN2O2 — CID 167870567

IUPAC3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylpropanoic acid
SMILESCc1cc(Br)cnc1NCC(C)(C)C(=O)O
InChIInChI=1S/C11H15BrN2O2/c1-7-4-8(12)5-13-9(7)14-6-11(2,3)10(15)16/h4-5H,6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyBQDPJRCDQOTNGU-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.68
Rot. Bonds4

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

3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 167870567) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylpropanoic acid
PubChem CID167870567
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylpropanoic acid
SMILESCc1cc(Br)cnc1NCC(C)(C)C(=O)O
InChIInChI=1S/C11H15BrN2O2/c1-7-4-8(12)5-13-9(7)14-6-11(2,3)10(15)16/h4-5H,6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyBQDPJRCDQOTNGU-UHFFFAOYSA-N
XLogP2.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(5-bromo-3-methyl-2-pyridinyl)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-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 79718907
2-[(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79717961
1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine
CID 115306109
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N,N-diethylacetamide
CID 112699018
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 113255900
4-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 83166512
2,2-dimethyl-3-[(3-methylpyrazin-2-yl)amino]propanoic acid
CID 83064344
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one
CID 112699008
N-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide
CID 81489506
5-bromo-3-methyl-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]pyridin-2-amine
CID 115148718
5-bromo-3-methyl-N-(2-methyl-2-pyridin-2-ylpropyl)pyridin-2-amine
CID 115148709
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
CID 106185086

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylpropanoic acid (CID 167870567) is 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylpropanoic acid is Cc1cc(Br)cnc1NCC(C)(C)C(=O)O.
What is the InChIKey of 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is BQDPJRCDQOTNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-7-4-8(12)5-13-9(7)14-6-11(2,3)10(15)16/h4-5H,6H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylpropanoic acid?
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 287.16 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 167870567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).