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

C13H17F3N2O2 — CID 61172450

IUPAC(2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c1-3-8(2)11(17)12(19)18-9-4-6-10(7-5-9)20-13(14,15)16/h4-8,11H,3,17H2,1-2H3,(H,18,19)/t8?,11-/m0/s1
InChIKeyRHIKZOIKLNIORM-LYNSQETBSA-N
MW290.29 g/mol
LogP2.90
Rot. Bonds5

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

(2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide (PubChem CID 61172450) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
PubChem CID61172450
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name(2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c1-3-8(2)11(17)12(19)18-9-4-6-10(7-5-9)20-13(14,15)16/h4-8,11H,3,17H2,1-2H3,(H,18,19)/t8?,11-/m0/s1
InChIKeyRHIKZOIKLNIORM-LYNSQETBSA-N
XLogP2.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 42313687
2-(carbamoylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 3924237
2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61258507
(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide
CID 22690860
methyl 4-[(2-amino-3-methylpentanoyl)amino]benzoate
CID 61258918
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2304863
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
4-amino-2-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 80542337
methyl 2-[4-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
CID 43700551
2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
CID 43702138

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide (CID 61172450) is (2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide is CCC(C)[C@H](N)C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide?
The InChIKey is RHIKZOIKLNIORM-LYNSQETBSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-3-8(2)11(17)12(19)18-9-4-6-10(7-5-9)20-13(14,15)16/h4-8,11H,3,17H2,1-2H3,(H,18,19)/t8?,11-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide?
(2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide has a molecular weight of 290.29 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide is sourced from PubChem (CID 61172450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).