(2S)-2-amino-N,N,4-trimethylpentanamide;2,2,2-trifluoroacetic acid

C10H19F3N2O3 — CID 86625686

IUPAC(2S)-2-amino-N,N,4-trimethylpentanamide;2,2,2-trifluoroacetic acid
SMILESCC(C)C[C@H](N)C(=O)N(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C8H18N2O.C2HF3O2/c1-6(2)5-7(9)8(11)10(3)4;3-2(4,5)1(6)7/h6-7H,5,9H2,1-4H3;(H,6,7)/t7-;/m0./s1
InChIKeyVXJMDKMIAKKQGF-FJXQXJEOSA-N
MW272.27 g/mol
LogP1.08
Rot. Bonds3

About (2S)-2-amino-N,N,4-trimethylpentanamide;2,2,2-trifluoroacetic acid

(2S)-2-amino-N,N,4-trimethylpentanamide;2,2,2-trifluoroacetic acid (PubChem CID 86625686) has the molecular formula C10H19F3N2O3 and a molecular weight of 272.27 g/mol. Its IUPAC name is (2S)-2-amino-N,N,4-trimethylpentanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S)-2-amino-N,N,4-trimethylpentanamide;2,2,2-trifluoroacetic acid
PubChem CID86625686
Molecular FormulaC10H19F3N2O3
Molecular Weight272.27 g/mol
Exact Mass272.13
IUPAC Name(2S)-2-amino-N,N,4-trimethylpentanamide;2,2,2-trifluoroacetic acid
SMILESCC(C)C[C@H](N)C(=O)N(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C8H18N2O.C2HF3O2/c1-6(2)5-7(9)8(11)10(3)4;3-2(4,5)1(6)7/h6-7H,5,9H2,1-4H3;(H,6,7)/t7-;/m0./s1
InChIKeyVXJMDKMIAKKQGF-FJXQXJEOSA-N
XLogP1.08
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 67431155
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CID 67864477
CID 67864477
CID 68634219
CID 68634219
CID 69907888
CID 69907888
CID 69908648
CID 69908648
CID 70298675
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CID 70298677
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CID 71283933
CID 71283933

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,N,4-trimethylpentanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S)-2-amino-N,N,4-trimethylpentanamide;2,2,2-trifluoroacetic acid (CID 86625686) is (2S)-2-amino-N,N,4-trimethylpentanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S)-2-amino-N,N,4-trimethylpentanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S)-2-amino-N,N,4-trimethylpentanamide;2,2,2-trifluoroacetic acid is CC(C)C[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,4-trimethylpentanamide;2,2,2-trifluoroacetic acid?
The InChIKey is VXJMDKMIAKKQGF-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H18N2O.C2HF3O2/c1-6(2)5-7(9)8(11)10(3)4;3-2(4,5)1(6)7/h6-7H,5,9H2,1-4H3;(H,6,7)/t7-;/m0./s1.
What are the key properties of (2S)-2-amino-N,N,4-trimethylpentanamide;2,2,2-trifluoroacetic acid?
(2S)-2-amino-N,N,4-trimethylpentanamide;2,2,2-trifluoroacetic acid has a molecular weight of 272.27 g/mol, XLogP of 1.08, 3 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,4-trimethylpentanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86625686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).