(2R)-3-amino-N-benzyl-2-hydroxypentanamide;2,2,2-trifluoroacetic acid

C14H19F3N2O4 — CID 131737762

IUPAC(2R)-3-amino-N-benzyl-2-hydroxypentanamide;2,2,2-trifluoroacetic acid
SMILESCCC(N)[C@@H](O)C(=O)NCc1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H18N2O2.C2HF3O2/c1-2-10(13)11(15)12(16)14-8-9-6-4-3-5-7-9;3-2(4,5)1(6)7/h3-7,10-11,15H,2,8,13H2,1H3,(H,14,16);(H,6,7)/t10?,11-;/m1./s1
InChIKeyUWRMNLRXLYUMME-PSDUUTOMSA-N
MW336.31 g/mol
LogP1.03
Rot. Bonds5

About (2R)-3-amino-N-benzyl-2-hydroxypentanamide;2,2,2-trifluoroacetic acid

(2R)-3-amino-N-benzyl-2-hydroxypentanamide;2,2,2-trifluoroacetic acid (PubChem CID 131737762) has the molecular formula C14H19F3N2O4 and a molecular weight of 336.31 g/mol. Its IUPAC name is (2R)-3-amino-N-benzyl-2-hydroxypentanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R)-3-amino-N-benzyl-2-hydroxypentanamide;2,2,2-trifluoroacetic acid
PubChem CID131737762
Molecular FormulaC14H19F3N2O4
Molecular Weight336.31 g/mol
Exact Mass336.13
IUPAC Name(2R)-3-amino-N-benzyl-2-hydroxypentanamide;2,2,2-trifluoroacetic acid
SMILESCCC(N)[C@@H](O)C(=O)NCc1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H18N2O2.C2HF3O2/c1-2-10(13)11(15)12(16)14-8-9-6-4-3-5-7-9;3-2(4,5)1(6)7/h3-7,10-11,15H,2,8,13H2,1H3,(H,14,16);(H,6,7)/t10?,11-;/m1./s1
InChIKeyUWRMNLRXLYUMME-PSDUUTOMSA-N
XLogP1.03
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-3-amino-N-benzyl-2-hydroxypentanamide;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

Related Compounds

(3S)-3-amino-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide;2,2,2-trifluoroacetic acid
CID 11849655
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
(2R,3S)-3-amino-2-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide
CID 142702802
(2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide
CID 71428235
(3S)-3-amino-2-hydroxy-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide
CID 69029068
(2R,3R)-N-benzyl-2,3-dihydroxy-N'-[(2R)-1-phenylpropan-2-yl]butanediamide
CID 59636946
2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 70927054
benzyl (2S)-2-[[(2R)-2-[[(3S)-3-amino-2-hydroxypentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoate;2,2,2-trifluoroacetic acid
CID 67825117
[3-amino-1-(benzylamino)-1-oxo-4-phenylbutan-2-yl] 2,2,2-trifluoroacetate
CID 174760145
(2S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-N-benzylpentanamide;2,2,2-trifluoroacetic acid
CID 18655306
(2S,3S,4S,5S)-2,5-diamino-1,6-diphenylhexane-3,4-diol;bis(2,2,2-trifluoroacetic acid)
CID 24799463
2-amino-3-methyl-N-(pyridin-3-ylmethyl)pentanamide;2,2,2-trifluoroacetic acid
CID 22068505

Frequently Asked Questions

What is the IUPAC name of (2R)-3-amino-N-benzyl-2-hydroxypentanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R)-3-amino-N-benzyl-2-hydroxypentanamide;2,2,2-trifluoroacetic acid (CID 131737762) is (2R)-3-amino-N-benzyl-2-hydroxypentanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R)-3-amino-N-benzyl-2-hydroxypentanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R)-3-amino-N-benzyl-2-hydroxypentanamide;2,2,2-trifluoroacetic acid is CCC(N)[C@@H](O)C(=O)NCc1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of (2R)-3-amino-N-benzyl-2-hydroxypentanamide;2,2,2-trifluoroacetic acid?
The InChIKey is UWRMNLRXLYUMME-PSDUUTOMSA-N. The full InChI is InChI=1S/C12H18N2O2.C2HF3O2/c1-2-10(13)11(15)12(16)14-8-9-6-4-3-5-7-9;3-2(4,5)1(6)7/h3-7,10-11,15H,2,8,13H2,1H3,(H,14,16);(H,6,7)/t10?,11-;/m1./s1.
What are the key properties of (2R)-3-amino-N-benzyl-2-hydroxypentanamide;2,2,2-trifluoroacetic acid?
(2R)-3-amino-N-benzyl-2-hydroxypentanamide;2,2,2-trifluoroacetic acid has a molecular weight of 336.31 g/mol, XLogP of 1.03, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-amino-N-benzyl-2-hydroxypentanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 131737762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).