4-[acetyl(2-methylpropanoyl)amino]-2,2,4-trimethylhexanoic acid

C15H27NO4 — CID 123290025

IUPAC4-[acetyl(2-methylpropanoyl)amino]-2,2,4-trimethylhexanoic acid
SMILESCCC(C)(CC(C)(C)C(=O)O)N(C(C)=O)C(=O)C(C)C
InChIInChI=1S/C15H27NO4/c1-8-15(7,9-14(5,6)13(19)20)16(11(4)17)12(18)10(2)3/h10H,8-9H2,1-7H3,(H,19,20)
InChIKeyYWFPZCJPLWJVNW-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.69
Rot. Bonds6

About 4-[acetyl(2-methylpropanoyl)amino]-2,2,4-trimethylhexanoic acid

4-[acetyl(2-methylpropanoyl)amino]-2,2,4-trimethylhexanoic acid (PubChem CID 123290025) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 4-[acetyl(2-methylpropanoyl)amino]-2,2,4-trimethylhexanoic acid.

Molecular Properties

Compound Name4-[acetyl(2-methylpropanoyl)amino]-2,2,4-trimethylhexanoic acid
PubChem CID123290025
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name4-[acetyl(2-methylpropanoyl)amino]-2,2,4-trimethylhexanoic acid
SMILESCCC(C)(CC(C)(C)C(=O)O)N(C(C)=O)C(=O)C(C)C
InChIInChI=1S/C15H27NO4/c1-8-15(7,9-14(5,6)13(19)20)16(11(4)17)12(18)10(2)3/h10H,8-9H2,1-7H3,(H,19,20)
InChIKeyYWFPZCJPLWJVNW-UHFFFAOYSA-N
XLogP2.69
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-acetyl-N-(3-methylhexan-3-yl)acetamide
CID 89349857
4-hydroxy-2,2,4-trimethylhexanoic acid
CID 114495175
4-amino-2,2,4-trimethylhexanoic acid
CID 89085708
2,2-dimethylbutanoic acid;methane
CID 159782886
1,1,3,5-tetramethylheptane-1,3,5-tricarboxylic acid
CID 88566200
1,1,3,5,7,9,11,13,15,17,19-undecamethylhenicosane-1,3,5,7,9,11,13,15,17,19-decacarboxylic acid
CID 58114727
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57-triacontamethylnonapentacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57-nonacosacarboxylic acid
CID 177116159
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecamethyltritriacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecacarboxylic acid
CID 159235400
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-docosamethyltritetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosacarboxylic acid
CID 118067410
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85-tetratetracontamethylheptaoctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85-tritetracontacarboxylic acid
CID 140793312
carbanide;2,2-dimethylbutanoic acid;vanadium
CID 58461761
carbanide;2,2-dimethylbutanoic acid;yttrium
CID 58937622

Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(2-methylpropanoyl)amino]-2,2,4-trimethylhexanoic acid?
The IUPAC name of 4-[acetyl(2-methylpropanoyl)amino]-2,2,4-trimethylhexanoic acid (CID 123290025) is 4-[acetyl(2-methylpropanoyl)amino]-2,2,4-trimethylhexanoic acid.
What is the SMILES notation for 4-[acetyl(2-methylpropanoyl)amino]-2,2,4-trimethylhexanoic acid?
The canonical SMILES for 4-[acetyl(2-methylpropanoyl)amino]-2,2,4-trimethylhexanoic acid is CCC(C)(CC(C)(C)C(=O)O)N(C(C)=O)C(=O)C(C)C.
What is the InChIKey of 4-[acetyl(2-methylpropanoyl)amino]-2,2,4-trimethylhexanoic acid?
The InChIKey is YWFPZCJPLWJVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-8-15(7,9-14(5,6)13(19)20)16(11(4)17)12(18)10(2)3/h10H,8-9H2,1-7H3,(H,19,20).
What are the key properties of 4-[acetyl(2-methylpropanoyl)amino]-2,2,4-trimethylhexanoic acid?
4-[acetyl(2-methylpropanoyl)amino]-2,2,4-trimethylhexanoic acid has a molecular weight of 285.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(2-methylpropanoyl)amino]-2,2,4-trimethylhexanoic acid is sourced from PubChem (CID 123290025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).