(2S)-2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide

C10H19F3N2O — CID 61165092

IUPAC(2S)-2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)[C@H](N)C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C10H19F3N2O/c1-6(2)8(14)9(16)15(7(3)4)5-10(11,12)13/h6-8H,5,14H2,1-4H3/t8-/m0/s1
InChIKeyXTQZXCIEYJROGY-QMMMGPOBSA-N
MW240.27 g/mol
LogP1.77
Rot. Bonds4

About (2S)-2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide

(2S)-2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 61165092) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID61165092
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name(2S)-2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)[C@H](N)C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C10H19F3N2O/c1-6(2)8(14)9(16)15(7(3)4)5-10(11,12)13/h6-8H,5,14H2,1-4H3/t8-/m0/s1
InChIKeyXTQZXCIEYJROGY-QMMMGPOBSA-N
XLogP1.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 103929257
2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 60770828
2,2,2-trifluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592645
(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 79024502
2-amino-N-ethyl-3-methyl-N-propan-2-ylbutanamide
CID 43265863
2-methyl-3-oxo-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 114897583
2-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 54871893
(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide
CID 107144500
2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 62636977
(2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61164133
(2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948774
(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948115

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide (CID 61165092) is (2S)-2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide is CC(C)[C@H](N)C(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of (2S)-2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is XTQZXCIEYJROGY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-6(2)8(14)9(16)15(7(3)4)5-10(11,12)13/h6-8H,5,14H2,1-4H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
(2S)-2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 240.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 61165092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).