4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid

C16H31NO3 — CID 65284261

IUPAC4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid
SMILESCC(CC(=O)NCCC(C)(C)CCC(=O)O)C(C)(C)C
InChIInChI=1S/C16H31NO3/c1-12(15(2,3)4)11-13(18)17-10-9-16(5,6)8-7-14(19)20/h12H,7-11H2,1-6H3,(H,17,18)(H,19,20)
InChIKeyHYHVCDQFFOQFAU-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.46
Rot. Bonds8

About 4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid

4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid (PubChem CID 65284261) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid
PubChem CID65284261
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid
SMILESCC(CC(=O)NCCC(C)(C)CCC(=O)O)C(C)(C)C
InChIInChI=1S/C16H31NO3/c1-12(15(2,3)4)11-13(18)17-10-9-16(5,6)8-7-14(19)20/h12H,7-11H2,1-6H3,(H,17,18)(H,19,20)
InChIKeyHYHVCDQFFOQFAU-UHFFFAOYSA-N
XLogP3.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-6-(2,3,3-trimethylbutylcarbamoylamino)hexanoic acid
CID 83142689
4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298
6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid
CID 65285788
4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid
CID 65284966
6-[[2-(tert-butylamino)acetyl]amino]-4,4-dimethylhexanoic acid
CID 79257053
6-[3-(ethylamino)propanoylamino]-4,4-dimethylhexanoic acid
CID 65286127
4,4-dimethyl-6-(propan-2-yloxycarbonylamino)hexanoic acid
CID 65285506
4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid
CID 65287517
4,4-dimethyl-6-[[3-(methylamino)-3-oxopropyl]carbamoylamino]hexanoic acid
CID 65287428
6-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4,4-dimethylhexanoic acid
CID 65286271
N-(4-aminopentyl)-3,4,4-trimethylpentanamide
CID 106122483
6-(7-aminoheptanoylamino)-4,4-dimethylhexanoic acid
CID 65285837

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid?
The IUPAC name of 4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid (CID 65284261) is 4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid is CC(CC(=O)NCCC(C)(C)CCC(=O)O)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid?
The InChIKey is HYHVCDQFFOQFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-12(15(2,3)4)11-13(18)17-10-9-16(5,6)8-7-14(19)20/h12H,7-11H2,1-6H3,(H,17,18)(H,19,20).
What are the key properties of 4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid?
4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid has a molecular weight of 285.43 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid is sourced from PubChem (CID 65284261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).