(3S)-3-amino-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide;2,2,2-trifluoroacetic acid

C20H23F3N2O4 — CID 11849655

IUPAC(3S)-3-amino-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide;2,2,2-trifluoroacetic acid
SMILESN[C@@H](Cc1ccccc1)C(O)C(=O)NCCc1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H22N2O2.C2HF3O2/c19-16(13-15-9-5-2-6-10-15)17(21)18(22)20-12-11-14-7-3-1-4-8-14;3-2(4,5)1(6)7/h1-10,16-17,21H,11-13,19H2,(H,20,22);(H,6,7)/t16-,17?;/m0./s1
InChIKeyRPMJAFWXAXBCRP-KHTASDDNSA-N
MW412.41 g/mol
LogP1.91
Rot. Bonds7

About (3S)-3-amino-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide;2,2,2-trifluoroacetic acid

(3S)-3-amino-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide;2,2,2-trifluoroacetic acid (PubChem CID 11849655) has the molecular formula C20H23F3N2O4 and a molecular weight of 412.41 g/mol. Its IUPAC name is (3S)-3-amino-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3S)-3-amino-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide;2,2,2-trifluoroacetic acid
PubChem CID11849655
Molecular FormulaC20H23F3N2O4
Molecular Weight412.41 g/mol
Exact Mass412.16
IUPAC Name(3S)-3-amino-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide;2,2,2-trifluoroacetic acid
SMILESN[C@@H](Cc1ccccc1)C(O)C(=O)NCCc1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H22N2O2.C2HF3O2/c19-16(13-15-9-5-2-6-10-15)17(21)18(22)20-12-11-14-7-3-1-4-8-14;3-2(4,5)1(6)7/h1-10,16-17,21H,11-13,19H2,(H,20,22);(H,6,7)/t16-,17?;/m0./s1
InChIKeyRPMJAFWXAXBCRP-KHTASDDNSA-N
XLogP1.91
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (3S)-3-amino-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (3S)-3-amino-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide;2,2,2-trifluoroacetic acid (CID 11849655) is (3S)-3-amino-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3S)-3-amino-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3S)-3-amino-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide;2,2,2-trifluoroacetic acid is N[C@@H](Cc1ccccc1)C(O)C(=O)NCCc1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of (3S)-3-amino-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide;2,2,2-trifluoroacetic acid?
The InChIKey is RPMJAFWXAXBCRP-KHTASDDNSA-N. The full InChI is InChI=1S/C18H22N2O2.C2HF3O2/c19-16(13-15-9-5-2-6-10-15)17(21)18(22)20-12-11-14-7-3-1-4-8-14;3-2(4,5)1(6)7/h1-10,16-17,21H,11-13,19H2,(H,20,22);(H,6,7)/t16-,17?;/m0./s1.
What are the key properties of (3S)-3-amino-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide;2,2,2-trifluoroacetic acid?
(3S)-3-amino-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide;2,2,2-trifluoroacetic acid has a molecular weight of 412.41 g/mol, XLogP of 1.91, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11849655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).