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

C10H19F3N2O2 — CID 61164978

IUPAC(2S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)(C)[C@H](N)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-9(2,3)7(14)8(17)15(4-5-16)6-10(11,12)13/h7,16H,4-6,14H2,1-3H3/t7-/m1/s1
InChIKeyPGJRUJDTZWGXJY-SSDOTTSWSA-N
MW256.27 g/mol
LogP0.74
Rot. Bonds4

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

(2S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 61164978) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID61164978
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name(2S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)(C)[C@H](N)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-9(2,3)7(14)8(17)15(4-5-16)6-10(11,12)13/h7,16H,4-6,14H2,1-3H3/t7-/m1/s1
InChIKeyPGJRUJDTZWGXJY-SSDOTTSWSA-N
XLogP0.74
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.74
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)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide (CID 61164978) is (2S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide is CC(C)(C)[C@H](N)C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is PGJRUJDTZWGXJY-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-9(2,3)7(14)8(17)15(4-5-16)6-10(11,12)13/h7,16H,4-6,14H2,1-3H3/t7-/m1/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
(2S)-2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 256.27 g/mol, XLogP of 0.74, 4 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)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 61164978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).