2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid

C12H17BrN2O2 — CID 122062511

IUPAC2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid
SMILESCc1cc(NC(CC(C)C)C(=O)O)ncc1Br
InChIInChI=1S/C12H17BrN2O2/c1-7(2)4-10(12(16)17)15-11-5-8(3)9(13)6-14-11/h5-7,10H,4H2,1-3H3,(H,14,15)(H,16,17)
InChIKeySOTAFEFBXKUANJ-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.06
Rot. Bonds5

About 2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid

2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid (PubChem CID 122062511) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid
PubChem CID122062511
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid
SMILESCc1cc(NC(CC(C)C)C(=O)O)ncc1Br
InChIInChI=1S/C12H17BrN2O2/c1-7(2)4-10(12(16)17)15-11-5-8(3)9(13)6-14-11/h5-7,10H,4H2,1-3H3,(H,14,15)(H,16,17)
InChIKeySOTAFEFBXKUANJ-UHFFFAOYSA-N
XLogP3.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid
CID 120964560
(2S)-4-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid
CID 122050185
(2S)-4-methyl-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]pentanoic acid
CID 122050022
3-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanoic acid
CID 83901573
(2R)-4-methyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]pentanoic acid
CID 122049144
(2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid
CID 120964579
5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine
CID 86323877
2-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 114869550
3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
CID 115774135
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanamide
CID 79734420
N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide
CID 79734521
(2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 122050028

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid (CID 122062511) is 2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid is Cc1cc(NC(CC(C)C)C(=O)O)ncc1Br.
What is the InChIKey of 2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid?
The InChIKey is SOTAFEFBXKUANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-7(2)4-10(12(16)17)15-11-5-8(3)9(13)6-14-11/h5-7,10H,4H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid?
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid has a molecular weight of 301.18 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 122062511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).