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

C8H15F3N2O3 — CID 86625698

IUPAC(2S)-2-amino-N,N-dimethylbutanamide;2,2,2-trifluoroacetic acid
SMILESCC[C@H](N)C(=O)N(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O.C2HF3O2/c1-4-5(7)6(9)8(2)3;3-2(4,5)1(6)7/h5H,4,7H2,1-3H3;(H,6,7)/t5-;/m0./s1
InChIKeyIRYOFKVRCUAIEK-JEDNCBNOSA-N
MW244.21 g/mol
LogP0.45
Rot. Bonds2

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

(2S)-2-amino-N,N-dimethylbutanamide;2,2,2-trifluoroacetic acid (PubChem CID 86625698) has the molecular formula C8H15F3N2O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is (2S)-2-amino-N,N-dimethylbutanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S)-2-amino-N,N-dimethylbutanamide;2,2,2-trifluoroacetic acid
PubChem CID86625698
Molecular FormulaC8H15F3N2O3
Molecular Weight244.21 g/mol
Exact Mass244.10
IUPAC Name(2S)-2-amino-N,N-dimethylbutanamide;2,2,2-trifluoroacetic acid
SMILESCC[C@H](N)C(=O)N(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O.C2HF3O2/c1-4-5(7)6(9)8(2)3;3-2(4,5)1(6)7/h5H,4,7H2,1-3H3;(H,6,7)/t5-;/m0./s1
InChIKeyIRYOFKVRCUAIEK-JEDNCBNOSA-N
XLogP0.45
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,N-dimethylbutanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S)-2-amino-N,N-dimethylbutanamide;2,2,2-trifluoroacetic acid (CID 86625698) is (2S)-2-amino-N,N-dimethylbutanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S)-2-amino-N,N-dimethylbutanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S)-2-amino-N,N-dimethylbutanamide;2,2,2-trifluoroacetic acid is CC[C@H](N)C(=O)N(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of (2S)-2-amino-N,N-dimethylbutanamide;2,2,2-trifluoroacetic acid?
The InChIKey is IRYOFKVRCUAIEK-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H14N2O.C2HF3O2/c1-4-5(7)6(9)8(2)3;3-2(4,5)1(6)7/h5H,4,7H2,1-3H3;(H,6,7)/t5-;/m0./s1.
What are the key properties of (2S)-2-amino-N,N-dimethylbutanamide;2,2,2-trifluoroacetic acid?
(2S)-2-amino-N,N-dimethylbutanamide;2,2,2-trifluoroacetic acid has a molecular weight of 244.21 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,N-dimethylbutanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86625698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).