2-(2,3,3-trimethylbutanoylamino)butanoic acid

C11H21NO3 — CID 120687072

IUPAC2-(2,3,3-trimethylbutanoylamino)butanoic acid
SMILESCCC(NC(=O)C(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-6-8(10(14)15)12-9(13)7(2)11(3,4)5/h7-8H,6H2,1-5H3,(H,12,13)(H,14,15)
InChIKeyOKHDUPJGKVIUHC-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.65
Rot. Bonds4

About 2-(2,3,3-trimethylbutanoylamino)butanoic acid

2-(2,3,3-trimethylbutanoylamino)butanoic acid (PubChem CID 120687072) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-(2,3,3-trimethylbutanoylamino)butanoic acid.

Molecular Properties

Compound Name2-(2,3,3-trimethylbutanoylamino)butanoic acid
PubChem CID120687072
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-(2,3,3-trimethylbutanoylamino)butanoic acid
SMILESCCC(NC(=O)C(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-6-8(10(14)15)12-9(13)7(2)11(3,4)5/h7-8H,6H2,1-5H3,(H,12,13)(H,14,15)
InChIKeyOKHDUPJGKVIUHC-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

(2S)-2-(2,3,3-trimethylbutanoylamino)hexanoic acid
CID 120615278
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
CID 103929498
(2S)-2-[(2,2-difluoroacetyl)amino]butanoic acid
CID 103513419
2-[(2-ethylsulfanyl-3-methylbutanoyl)amino]butanoic acid
CID 115731084
3-(2,3,3-trimethylbutanoylamino)butanoic acid
CID 119347954
(2S)-2-(2-methylsulfonylpropanoylamino)butanoic acid
CID 104517781
benzene;ethane;N-ethyl-2,3,3-trimethylbutanamide
CID 143855700
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid
CID 103997676
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2755934
3-amino-4-(1-carboxypropylamino)-4-oxobutanoic acid
CID 64895943
(2S)-2-[[(2S)-2-butylheptanoyl]amino]butanoic acid
CID 87898697
(2S)-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 79006992

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3-trimethylbutanoylamino)butanoic acid?
The IUPAC name of 2-(2,3,3-trimethylbutanoylamino)butanoic acid (CID 120687072) is 2-(2,3,3-trimethylbutanoylamino)butanoic acid.
What is the SMILES notation for 2-(2,3,3-trimethylbutanoylamino)butanoic acid?
The canonical SMILES for 2-(2,3,3-trimethylbutanoylamino)butanoic acid is CCC(NC(=O)C(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-(2,3,3-trimethylbutanoylamino)butanoic acid?
The InChIKey is OKHDUPJGKVIUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-6-8(10(14)15)12-9(13)7(2)11(3,4)5/h7-8H,6H2,1-5H3,(H,12,13)(H,14,15).
What are the key properties of 2-(2,3,3-trimethylbutanoylamino)butanoic acid?
2-(2,3,3-trimethylbutanoylamino)butanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3-trimethylbutanoylamino)butanoic acid is sourced from PubChem (CID 120687072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).