(2S)-2-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide

C15H21F3N2O2 — CID 119769296

IUPAC(2S)-2-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H21F3N2O2/c1-10(2)8-12(19)13(21)20-9-14(22,15(16,17)18)11-6-4-3-5-7-11/h3-7,10,12,22H,8-9,19H2,1-2H3,(H,20,21)/t12-,14?/m0/s1
InChIKeyVERPEPLOLCGMBV-NBFOIZRFSA-N
MW318.34 g/mol
LogP1.93
Rot. Bonds6

About (2S)-2-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide

(2S)-2-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide (PubChem CID 119769296) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide
PubChem CID119769296
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC Name(2S)-2-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H21F3N2O2/c1-10(2)8-12(19)13(21)20-9-14(22,15(16,17)18)11-6-4-3-5-7-11/h3-7,10,12,22H,8-9,19H2,1-2H3,(H,20,21)/t12-,14?/m0/s1
InChIKeyVERPEPLOLCGMBV-NBFOIZRFSA-N
XLogP1.93
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide;hydrochloride
CID 119769269
2-amino-3-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide;hydrochloride
CID 119769283
(2S)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
CID 106291529
(2R)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
CID 106291723
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride
CID 119796151
3-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide
CID 119951094
2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylpentanamide
CID 65107509
2-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride
CID 119315270
2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide
CID 106176696
1-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide
CID 119769244
(2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 103630266
(2S)-2-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]-4-methylpentanamide
CID 119773059

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide (CID 119769296) is (2S)-2-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide is CC(C)C[C@H](N)C(=O)NCC(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide?
The InChIKey is VERPEPLOLCGMBV-NBFOIZRFSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-10(2)8-12(19)13(21)20-9-14(22,15(16,17)18)11-6-4-3-5-7-11/h3-7,10,12,22H,8-9,19H2,1-2H3,(H,20,21)/t12-,14?/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide?
(2S)-2-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide has a molecular weight of 318.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide is sourced from PubChem (CID 119769296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).