(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide

C13H17F3N2O — CID 42313687

IUPAC(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O/c1-3-8(2)11(17)12(19)18-10-6-4-9(5-7-10)13(14,15)16/h4-8,11H,3,17H2,1-2H3,(H,18,19)/t8-,11-/m0/s1
InChIKeyHKRRPNCLXBDWKS-KWQFWETISA-N
MW274.29 g/mol
LogP3.02
Rot. Bonds4

About (2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide

(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide (PubChem CID 42313687) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
PubChem CID42313687
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O/c1-3-8(2)11(17)12(19)18-10-6-4-9(5-7-10)13(14,15)16/h4-8,11H,3,17H2,1-2H3,(H,18,19)/t8-,11-/m0/s1
InChIKeyHKRRPNCLXBDWKS-KWQFWETISA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide
CID 22690860
2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide
CID 24706834
(2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 61172450
(2S)-2-amino-N-[4-(2-cyanopropan-2-yl)phenyl]-3-methylpentanamide
CID 61172106
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylpentanamide
CID 65490224
(2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
CID 66475643
(2S)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685798
(2R)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685800

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide (CID 42313687) is (2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide?
The InChIKey is HKRRPNCLXBDWKS-KWQFWETISA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-3-8(2)11(17)12(19)18-10-6-4-9(5-7-10)13(14,15)16/h4-8,11H,3,17H2,1-2H3,(H,18,19)/t8-,11-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide?
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide has a molecular weight of 274.29 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide is sourced from PubChem (CID 42313687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).