3-(2,3-dimethylbutanoylamino)-3-methylbutanoic acid

C11H21NO3 — CID 64670496

IUPAC3-(2,3-dimethylbutanoylamino)-3-methylbutanoic acid
SMILESCC(C)C(C)C(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-7(2)8(3)10(15)12-11(4,5)6-9(13)14/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)
InChIKeyXHZSAAFAKNFZMM-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.65
Rot. Bonds5

About 3-(2,3-dimethylbutanoylamino)-3-methylbutanoic acid

3-(2,3-dimethylbutanoylamino)-3-methylbutanoic acid (PubChem CID 64670496) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-(2,3-dimethylbutanoylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(2,3-dimethylbutanoylamino)-3-methylbutanoic acid
PubChem CID64670496
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-(2,3-dimethylbutanoylamino)-3-methylbutanoic acid
SMILESCC(C)C(C)C(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-7(2)8(3)10(15)12-11(4,5)6-9(13)14/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)
InChIKeyXHZSAAFAKNFZMM-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-acetamido-3-methylbutanoyl)amino]-3-methylbutanoic acid
CID 64672861
3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanoic acid
CID 64700346
3-(3-aminobutanoylamino)-3-methylbutanoic acid
CID 64684104
3-methyl-3-(2-methylpropylcarbamoylamino)butanoic acid
CID 64702187
3-(4-aminopentanoylamino)-3-methylbutanoic acid
CID 64683706
3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-3-methylbutanoic acid
CID 104908582
3-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 64700892
2-(2,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid
CID 115910298
3-methyl-3-(3-methylbut-2-enoylamino)butanoic acid
CID 64671332
3-methyl-3-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid
CID 64684702
3-[(3-amino-3-methylbutanoyl)amino]-3-methylbutanoic acid;hydrochloride
CID 86811663
3-methyl-3-(propan-2-ylsulfonylamino)butanoic acid
CID 64701537

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylbutanoylamino)-3-methylbutanoic acid?
The IUPAC name of 3-(2,3-dimethylbutanoylamino)-3-methylbutanoic acid (CID 64670496) is 3-(2,3-dimethylbutanoylamino)-3-methylbutanoic acid.
What is the SMILES notation for 3-(2,3-dimethylbutanoylamino)-3-methylbutanoic acid?
The canonical SMILES for 3-(2,3-dimethylbutanoylamino)-3-methylbutanoic acid is CC(C)C(C)C(=O)NC(C)(C)CC(=O)O.
What is the InChIKey of 3-(2,3-dimethylbutanoylamino)-3-methylbutanoic acid?
The InChIKey is XHZSAAFAKNFZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7(2)8(3)10(15)12-11(4,5)6-9(13)14/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14).
What are the key properties of 3-(2,3-dimethylbutanoylamino)-3-methylbutanoic acid?
3-(2,3-dimethylbutanoylamino)-3-methylbutanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylbutanoylamino)-3-methylbutanoic acid is sourced from PubChem (CID 64670496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).