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

C10H19F3N2O2 — CID 61164977

IUPAC(2S,3S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-7(2)8(14)9(17)15(4-5-16)6-10(11,12)13/h7-8,16H,3-6,14H2,1-2H3/t7-,8-/m0/s1
InChIKeyUPAFOUMSNQDTJU-YUMQZZPRSA-N
MW256.27 g/mol
LogP0.74
Rot. Bonds6

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

(2S,3S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 61164977) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID61164977
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name(2S,3S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-7(2)8(14)9(17)15(4-5-16)6-10(11,12)13/h7-8,16H,3-6,14H2,1-2H3/t7-,8-/m0/s1
InChIKeyUPAFOUMSNQDTJU-YUMQZZPRSA-N
XLogP0.74
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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,3S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide (CID 61164977) is (2S,3S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide is CC[C@H](C)[C@H](N)C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of (2S,3S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is UPAFOUMSNQDTJU-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-3-7(2)8(14)9(17)15(4-5-16)6-10(11,12)13/h7-8,16H,3-6,14H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
(2S,3S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 256.27 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 61164977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).