(3S)-4,4,4-trifluoro-3-(methylamino)butanamide

C5H9F3N2O — CID 124668584

IUPAC(3S)-4,4,4-trifluoro-3-(methylamino)butanamide
SMILESCN[C@@H](CC(N)=O)C(F)(F)F
InChIInChI=1S/C5H9F3N2O/c1-10-3(2-4(9)11)5(6,7)8/h3,10H,2H2,1H3,(H2,9,11)/t3-/m0/s1
InChIKeyFRSVBXSYZSVJSI-VKHMYHEASA-N
MW170.13 g/mol
LogP0.01
Rot. Bonds3

About (3S)-4,4,4-trifluoro-3-(methylamino)butanamide

(3S)-4,4,4-trifluoro-3-(methylamino)butanamide (PubChem CID 124668584) has the molecular formula C5H9F3N2O and a molecular weight of 170.13 g/mol. Its IUPAC name is (3S)-4,4,4-trifluoro-3-(methylamino)butanamide.

Molecular Properties

Compound Name(3S)-4,4,4-trifluoro-3-(methylamino)butanamide
PubChem CID124668584
Molecular FormulaC5H9F3N2O
Molecular Weight170.13 g/mol
Exact Mass170.07
IUPAC Name(3S)-4,4,4-trifluoro-3-(methylamino)butanamide
SMILESCN[C@@H](CC(N)=O)C(F)(F)F
InChIInChI=1S/C5H9F3N2O/c1-10-3(2-4(9)11)5(6,7)8/h3,10H,2H2,1H3,(H2,9,11)/t3-/m0/s1
InChIKeyFRSVBXSYZSVJSI-VKHMYHEASA-N
XLogP0.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-3-[(propan-2-ylamino)methyl]butanamide
CID 90773870
3,4,4,4-tetrafluorobutanamide
CID 143771998
3-methylbutanamide
CID 87933309
3-(3,3,3-trifluoropropylamino)butanamide
CID 115677417
3-(dihydroxymethyl)-4,4,4-trifluorobutanamide
CID 89116563
(2S)-4-amino-2-(methylamino)-4-oxobutanethioic S-acid
CID 90274310
(2S)-4-amino-4-oxo-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]butanoic acid
CID 103309191
ethyl 4,4,4-trifluoro-3-hydrazinylbutanoate
CID 154016508
methyl (2R)-4-amino-2-(methylamino)-4-oxobutanoate
CID 174668747
2-(methylamino)-N-(5-methylhexyl)butanediamide
CID 146635024
3-amino-4,5,5,5-tetrafluoropentanamide;hydrate
CID 170876394
1,1,1-trifluoro-N,6-dimethylheptan-2-amine
CID 105029014

Frequently Asked Questions

What is the IUPAC name of (3S)-4,4,4-trifluoro-3-(methylamino)butanamide?
The IUPAC name of (3S)-4,4,4-trifluoro-3-(methylamino)butanamide (CID 124668584) is (3S)-4,4,4-trifluoro-3-(methylamino)butanamide.
What is the SMILES notation for (3S)-4,4,4-trifluoro-3-(methylamino)butanamide?
The canonical SMILES for (3S)-4,4,4-trifluoro-3-(methylamino)butanamide is CN[C@@H](CC(N)=O)C(F)(F)F.
What is the InChIKey of (3S)-4,4,4-trifluoro-3-(methylamino)butanamide?
The InChIKey is FRSVBXSYZSVJSI-VKHMYHEASA-N. The full InChI is InChI=1S/C5H9F3N2O/c1-10-3(2-4(9)11)5(6,7)8/h3,10H,2H2,1H3,(H2,9,11)/t3-/m0/s1.
What are the key properties of (3S)-4,4,4-trifluoro-3-(methylamino)butanamide?
(3S)-4,4,4-trifluoro-3-(methylamino)butanamide has a molecular weight of 170.13 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4,4,4-trifluoro-3-(methylamino)butanamide is sourced from PubChem (CID 124668584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).