(2S)-2-amino-N-tert-butyl-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid

C12H23F3N2O3 — CID 22941558

IUPAC(2S)-2-amino-N-tert-butyl-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)NC(=O)[C@@H](N)C(C)(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C10H22N2O.C2HF3O2/c1-9(2,3)7(11)8(13)12-10(4,5)6;3-2(4,5)1(6)7/h7H,11H2,1-6H3,(H,12,13);(H,6,7)/t7-;/m1./s1
InChIKeyZIEAMASSPUCFNO-OGFXRTJISA-N
MW300.32 g/mol
LogP1.91
Rot. Bonds1

About (2S)-2-amino-N-tert-butyl-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid

(2S)-2-amino-N-tert-butyl-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid (PubChem CID 22941558) has the molecular formula C12H23F3N2O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is (2S)-2-amino-N-tert-butyl-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S)-2-amino-N-tert-butyl-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid
PubChem CID22941558
Molecular FormulaC12H23F3N2O3
Molecular Weight300.32 g/mol
Exact Mass300.17
IUPAC Name(2S)-2-amino-N-tert-butyl-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)NC(=O)[C@@H](N)C(C)(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C10H22N2O.C2HF3O2/c1-9(2,3)7(11)8(13)12-10(4,5)6;3-2(4,5)1(6)7/h7H,11H2,1-6H3,(H,12,13);(H,6,7)/t7-;/m1./s1
InChIKeyZIEAMASSPUCFNO-OGFXRTJISA-N
XLogP1.91
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-tert-butyl-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S)-2-amino-N-tert-butyl-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid (CID 22941558) is (2S)-2-amino-N-tert-butyl-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S)-2-amino-N-tert-butyl-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S)-2-amino-N-tert-butyl-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid is CC(C)(C)NC(=O)[C@@H](N)C(C)(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of (2S)-2-amino-N-tert-butyl-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZIEAMASSPUCFNO-OGFXRTJISA-N. The full InChI is InChI=1S/C10H22N2O.C2HF3O2/c1-9(2,3)7(11)8(13)12-10(4,5)6;3-2(4,5)1(6)7/h7H,11H2,1-6H3,(H,12,13);(H,6,7)/t7-;/m1./s1.
What are the key properties of (2S)-2-amino-N-tert-butyl-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid?
(2S)-2-amino-N-tert-butyl-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid has a molecular weight of 300.32 g/mol, XLogP of 1.91, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-tert-butyl-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22941558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).