(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide

C9H17F3N2O — CID 79024502

IUPAC(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC[C@H](N)C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H17F3N2O/c1-4-7(13)8(15)14(6(2)3)5-9(10,11)12/h6-7H,4-5,13H2,1-3H3/t7-/m0/s1
InChIKeySXWVFLBOPSCLPQ-ZETCQYMHSA-N
MW226.24 g/mol
LogP1.52
Rot. Bonds4

About (2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide

(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 79024502) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is (2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID79024502
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC[C@H](N)C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H17F3N2O/c1-4-7(13)8(15)14(6(2)3)5-9(10,11)12/h6-7H,4-5,13H2,1-3H3/t7-/m0/s1
InChIKeySXWVFLBOPSCLPQ-ZETCQYMHSA-N
XLogP1.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide
CID 107144500
(2S)-2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 61165092
2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 60770828
(2R)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 103929257
(2R)-2-amino-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide
CID 93372320
(2S)-2-amino-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 79024707
2,2,2-trifluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592645
2-methyl-3-oxo-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 114897583
2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 62636977
2-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258497
2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide
CID 54872172
(2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79024297

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of (2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide (CID 79024502) is (2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide is CC[C@H](N)C(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of (2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is SXWVFLBOPSCLPQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-4-7(13)8(15)14(6(2)3)5-9(10,11)12/h6-7H,4-5,13H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 226.24 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 79024502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).