4,4-dimethyl-6-(propanoylamino)hexanoic acid

C11H21NO3 — CID 65284298

IUPAC4,4-dimethyl-6-(propanoylamino)hexanoic acid
SMILESCCC(=O)NCCC(C)(C)CCC(=O)O
InChIInChI=1S/C11H21NO3/c1-4-9(13)12-8-7-11(2,3)6-5-10(14)15/h4-8H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyZNBASRPJOPDTFR-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.79
Rot. Bonds7

About 4,4-dimethyl-6-(propanoylamino)hexanoic acid

4,4-dimethyl-6-(propanoylamino)hexanoic acid (PubChem CID 65284298) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4,4-dimethyl-6-(propanoylamino)hexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-(propanoylamino)hexanoic acid
PubChem CID65284298
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4,4-dimethyl-6-(propanoylamino)hexanoic acid
SMILESCCC(=O)NCCC(C)(C)CCC(=O)O
InChIInChI=1S/C11H21NO3/c1-4-9(13)12-8-7-11(2,3)6-5-10(14)15/h4-8H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyZNBASRPJOPDTFR-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[3-(ethylamino)propanoylamino]-4,4-dimethylhexanoic acid
CID 65286127
6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid
CID 65285788
6-[[2-(tert-butylamino)acetyl]amino]-4,4-dimethylhexanoic acid
CID 79257053
4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid
CID 65290131
4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid
CID 65284261
4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid
CID 65284966
4,4-dimethyl-6-[[3-(methylamino)-3-oxopropyl]carbamoylamino]hexanoic acid
CID 65287428
6-(7-aminoheptanoylamino)-4,4-dimethylhexanoic acid
CID 65285837
6-(ethylamino)-4,4-dimethylhexanoic acid
CID 65287382
4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 65284445
6-[[3-(ethylamino)-3-oxopropyl]amino]-4,4-dimethylhexanoic acid
CID 65287716
6-[(2-amino-2-methylbutanoyl)amino]-4,4-dimethylhexanoic acid
CID 79812253

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-(propanoylamino)hexanoic acid?
The IUPAC name of 4,4-dimethyl-6-(propanoylamino)hexanoic acid (CID 65284298) is 4,4-dimethyl-6-(propanoylamino)hexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-(propanoylamino)hexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-(propanoylamino)hexanoic acid is CCC(=O)NCCC(C)(C)CCC(=O)O.
What is the InChIKey of 4,4-dimethyl-6-(propanoylamino)hexanoic acid?
The InChIKey is ZNBASRPJOPDTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-9(13)12-8-7-11(2,3)6-5-10(14)15/h4-8H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 4,4-dimethyl-6-(propanoylamino)hexanoic acid?
4,4-dimethyl-6-(propanoylamino)hexanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-(propanoylamino)hexanoic acid is sourced from PubChem (CID 65284298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).