6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid

C13H26N2O3 — CID 65285788

IUPAC6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(N)CC(=O)NCCC(C)(C)CCC(=O)O
InChIInChI=1S/C13H26N2O3/c1-12(2,6-5-11(17)18)7-8-15-10(16)9-13(3,4)14/h5-9,14H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyNNNBVTOJEJFOHJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.51
Rot. Bonds8

About 6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid

6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid (PubChem CID 65285788) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid
PubChem CID65285788
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(N)CC(=O)NCCC(C)(C)CCC(=O)O
InChIInChI=1S/C13H26N2O3/c1-12(2,6-5-11(17)18)7-8-15-10(16)9-13(3,4)14/h5-9,14H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyNNNBVTOJEJFOHJ-UHFFFAOYSA-N
XLogP1.51
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298
6-[(3-amino-3-methylbutanoyl)amino]hexanoic acid
CID 64677557
6-[[2-(tert-butylamino)acetyl]amino]-4,4-dimethylhexanoic acid
CID 79257053
6-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4,4-dimethylhexanoic acid
CID 65286271
6-(7-aminoheptanoylamino)-4,4-dimethylhexanoic acid
CID 65285837
6-[3-(ethylamino)propanoylamino]-4,4-dimethylhexanoic acid
CID 65286127
6-[(2-amino-2-methylbutanoyl)amino]-4,4-dimethylhexanoic acid
CID 79812253
4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid
CID 65284261
4,4-dimethyl-6-[[3-(methylamino)-3-oxopropyl]carbamoylamino]hexanoic acid
CID 65287428
4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 65284445
4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid
CID 65290131
6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid
CID 65287286

Frequently Asked Questions

What is the IUPAC name of 6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid (CID 65285788) is 6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid is CC(C)(N)CC(=O)NCCC(C)(C)CCC(=O)O.
What is the InChIKey of 6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid?
The InChIKey is NNNBVTOJEJFOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-12(2,6-5-11(17)18)7-8-15-10(16)9-13(3,4)14/h5-9,14H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid?
6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid has a molecular weight of 258.36 g/mol, XLogP of 1.51, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65285788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).