2-[(5-tert-butylpyridine-2-carbonyl)amino]-2-methylbutanoic acid

C15H22N2O3 — CID 122107400

IUPAC2-[(5-tert-butylpyridine-2-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1ccc(C(C)(C)C)cn1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-6-15(5,13(19)20)17-12(18)11-8-7-10(9-16-11)14(2,3)4/h7-9H,6H2,1-5H3,(H,17,18)(H,19,20)
InChIKeyXLJSFUKGODAFDC-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.36
Rot. Bonds4

About 2-[(5-tert-butylpyridine-2-carbonyl)amino]-2-methylbutanoic acid

2-[(5-tert-butylpyridine-2-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 122107400) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[(5-tert-butylpyridine-2-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(5-tert-butylpyridine-2-carbonyl)amino]-2-methylbutanoic acid
PubChem CID122107400
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[(5-tert-butylpyridine-2-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1ccc(C(C)(C)C)cn1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-6-15(5,13(19)20)17-12(18)11-8-7-10(9-16-11)14(2,3)4/h7-9H,6H2,1-5H3,(H,17,18)(H,19,20)
InChIKeyXLJSFUKGODAFDC-UHFFFAOYSA-N
XLogP2.36
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 79793461
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908469
5-tert-butyl-N-hydroxypyridine-2-carboxamide
CID 155087996
3-[(5-tert-butylpyridine-2-carbonyl)amino]butanoic acid
CID 122107646
2-[(5-bromopyridine-2-carbonyl)amino]-2-methylpentanoic acid
CID 62958243
(2R)-2-[(5-tert-butylpyridine-2-carbonyl)amino]propanoic acid
CID 122107922
5-(3-methylpentan-3-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 176964984
2-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]-2-methylbutanoic acid
CID 119198963
2-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 79792550
6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43427297
2-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 122108015
2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]butanoic acid
CID 120518474

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butylpyridine-2-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(5-tert-butylpyridine-2-carbonyl)amino]-2-methylbutanoic acid (CID 122107400) is 2-[(5-tert-butylpyridine-2-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(5-tert-butylpyridine-2-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(5-tert-butylpyridine-2-carbonyl)amino]-2-methylbutanoic acid is CCC(C)(NC(=O)c1ccc(C(C)(C)C)cn1)C(=O)O.
What is the InChIKey of 2-[(5-tert-butylpyridine-2-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is XLJSFUKGODAFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-6-15(5,13(19)20)17-12(18)11-8-7-10(9-16-11)14(2,3)4/h7-9H,6H2,1-5H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(5-tert-butylpyridine-2-carbonyl)amino]-2-methylbutanoic acid?
2-[(5-tert-butylpyridine-2-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butylpyridine-2-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 122107400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).