2-[(5-bromopyridine-2-carbonyl)amino]-2-methylpentanoic acid

C12H15BrN2O3 — CID 62958243

IUPAC2-[(5-bromopyridine-2-carbonyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1ccc(Br)cn1)C(=O)O
InChIInChI=1S/C12H15BrN2O3/c1-3-6-12(2,11(17)18)15-10(16)9-5-4-8(13)7-14-9/h4-5,7H,3,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGJCLARDTBFCJTQ-UHFFFAOYSA-N
MW315.17 g/mol
LogP2.22
Rot. Bonds5

About 2-[(5-bromopyridine-2-carbonyl)amino]-2-methylpentanoic acid

2-[(5-bromopyridine-2-carbonyl)amino]-2-methylpentanoic acid (PubChem CID 62958243) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-[(5-bromopyridine-2-carbonyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(5-bromopyridine-2-carbonyl)amino]-2-methylpentanoic acid
PubChem CID62958243
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name2-[(5-bromopyridine-2-carbonyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1ccc(Br)cn1)C(=O)O
InChIInChI=1S/C12H15BrN2O3/c1-3-6-12(2,11(17)18)15-10(16)9-5-4-8(13)7-14-9/h4-5,7H,3,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGJCLARDTBFCJTQ-UHFFFAOYSA-N
XLogP2.22
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromopyridine-2-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79793016
5-bromo-N-(1-bromo-3-methylpentan-3-yl)pyridine-2-carboxamide
CID 106169604
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-2-carboxamide
CID 64555627
2-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpentanoic acid
CID 114035170
5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pyridine-2-carboxamide
CID 115606439
2-[(5-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 79793461
3-[(5-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427045
2-[(5-tert-butylpyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 122107400
5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide
CID 55153816
(2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid
CID 107562920
2-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43618915
3-[(5-bromopyridine-2-carbonyl)amino]-4-methoxy-3-methylbutanoic acid
CID 120532186

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromopyridine-2-carbonyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(5-bromopyridine-2-carbonyl)amino]-2-methylpentanoic acid (CID 62958243) is 2-[(5-bromopyridine-2-carbonyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(5-bromopyridine-2-carbonyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(5-bromopyridine-2-carbonyl)amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)c1ccc(Br)cn1)C(=O)O.
What is the InChIKey of 2-[(5-bromopyridine-2-carbonyl)amino]-2-methylpentanoic acid?
The InChIKey is GJCLARDTBFCJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-3-6-12(2,11(17)18)15-10(16)9-5-4-8(13)7-14-9/h4-5,7H,3,6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(5-bromopyridine-2-carbonyl)amino]-2-methylpentanoic acid?
2-[(5-bromopyridine-2-carbonyl)amino]-2-methylpentanoic acid has a molecular weight of 315.17 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromopyridine-2-carbonyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 62958243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).