2-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid

C17H26N2O3 — CID 122108015

IUPAC2-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC(=O)c1ccc(C(C)(C)C)cn1)C(=O)O
InChIInChI=1S/C17H26N2O3/c1-11(2)8-12(16(21)22)9-19-15(20)14-7-6-13(10-18-14)17(3,4)5/h6-7,10-12H,8-9H2,1-5H3,(H,19,20)(H,21,22)
InChIKeyFNPHVNYXTMPIPO-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.86
Rot. Bonds6

About 2-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid

2-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid (PubChem CID 122108015) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
PubChem CID122108015
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC(=O)c1ccc(C(C)(C)C)cn1)C(=O)O
InChIInChI=1S/C17H26N2O3/c1-11(2)8-12(16(21)22)9-19-15(20)14-7-6-13(10-18-14)17(3,4)5/h6-7,10-12H,8-9H2,1-5H3,(H,19,20)(H,21,22)
InChIKeyFNPHVNYXTMPIPO-UHFFFAOYSA-N
XLogP2.86
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(5-chloropyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 124517125
2-[[(5-carbamoylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 119253750
(2R)-2-[(5-tert-butylpyridine-2-carbonyl)amino]propanoic acid
CID 122107922
N-(2-bromo-4-methylpentyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107157596
4-methyl-2-[[[4-(trifluoromethyl)benzoyl]amino]methyl]pentanoic acid
CID 119252785
3-[(5-tert-butylpyridine-2-carbonyl)amino]butanoic acid
CID 122107646
4-methyl-2-[[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methyl]pentanoic acid
CID 119253199
4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid
CID 120528496
5-tert-butyl-N-hydroxypyridine-2-carboxamide
CID 155087996
2-[(5-tert-butylpyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 122107400
2-[(3-methylphenyl)methyl]-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid
CID 120526736
2-[[(2,6-dimethylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 103925730

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid (CID 122108015) is 2-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid is CC(C)CC(CNC(=O)c1ccc(C(C)(C)C)cn1)C(=O)O.
What is the InChIKey of 2-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid?
The InChIKey is FNPHVNYXTMPIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-11(2)8-12(16(21)22)9-19-15(20)14-7-6-13(10-18-14)17(3,4)5/h6-7,10-12H,8-9H2,1-5H3,(H,19,20)(H,21,22).
What are the key properties of 2-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid?
2-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid has a molecular weight of 306.41 g/mol, XLogP of 2.86, 6 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]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 122108015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).