(2S)-2-aminobutanamide;2,2,2-trifluoroacetic acid

C6H11F3N2O3 — CID 172789092

IUPAC(2S)-2-aminobutanamide;2,2,2-trifluoroacetic acid
SMILESCC[C@H](N)C(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2O.C2HF3O2/c1-2-3(5)4(6)7;3-2(4,5)1(6)7/h3H,2,5H2,1H3,(H2,6,7);(H,6,7)/t3-;/m0./s1
InChIKeyPHSJYOWFHDKGMP-DFWYDOINSA-N
MW216.16 g/mol
LogP-0.16
Rot. Bonds2

About (2S)-2-aminobutanamide;2,2,2-trifluoroacetic acid

(2S)-2-aminobutanamide;2,2,2-trifluoroacetic acid (PubChem CID 172789092) has the molecular formula C6H11F3N2O3 and a molecular weight of 216.16 g/mol. Its IUPAC name is (2S)-2-aminobutanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S)-2-aminobutanamide;2,2,2-trifluoroacetic acid
PubChem CID172789092
Molecular FormulaC6H11F3N2O3
Molecular Weight216.16 g/mol
Exact Mass216.07
IUPAC Name(2S)-2-aminobutanamide;2,2,2-trifluoroacetic acid
SMILESCC[C@H](N)C(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2O.C2HF3O2/c1-2-3(5)4(6)7;3-2(4,5)1(6)7/h3H,2,5H2,1H3,(H2,6,7);(H,6,7)/t3-;/m0./s1
InChIKeyPHSJYOWFHDKGMP-DFWYDOINSA-N
XLogP-0.16
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminobutanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S)-2-aminobutanamide;2,2,2-trifluoroacetic acid (CID 172789092) is (2S)-2-aminobutanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S)-2-aminobutanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S)-2-aminobutanamide;2,2,2-trifluoroacetic acid is CC[C@H](N)C(N)=O.O=C(O)C(F)(F)F.
What is the InChIKey of (2S)-2-aminobutanamide;2,2,2-trifluoroacetic acid?
The InChIKey is PHSJYOWFHDKGMP-DFWYDOINSA-N. The full InChI is InChI=1S/C4H10N2O.C2HF3O2/c1-2-3(5)4(6)7;3-2(4,5)1(6)7/h3H,2,5H2,1H3,(H2,6,7);(H,6,7)/t3-;/m0./s1.
What are the key properties of (2S)-2-aminobutanamide;2,2,2-trifluoroacetic acid?
(2S)-2-aminobutanamide;2,2,2-trifluoroacetic acid has a molecular weight of 216.16 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminobutanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172789092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).