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

C9H17F3N2O2 — CID 61164801

IUPAC(2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)[C@H](N)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-6(2)7(13)8(16)14(3-4-15)5-9(10,11)12/h6-7,15H,3-5,13H2,1-2H3/t7-/m0/s1
InChIKeyRDDXUKYXLJRPSW-ZETCQYMHSA-N
MW242.24 g/mol
LogP0.35
Rot. Bonds5

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

(2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 61164801) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID61164801
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name(2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)[C@H](N)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-6(2)7(13)8(16)14(3-4-15)5-9(10,11)12/h6-7,15H,3-5,13H2,1-2H3/t7-/m0/s1
InChIKeyRDDXUKYXLJRPSW-ZETCQYMHSA-N
XLogP0.35
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide (CID 61164801) is (2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide is CC(C)[C@H](N)C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is RDDXUKYXLJRPSW-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-6(2)7(13)8(16)14(3-4-15)5-9(10,11)12/h6-7,15H,3-5,13H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
(2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 242.24 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 61164801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).