(2R,3R)-3-methoxy-2-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;2,2,2-trifluoroacetic acid

C21H30F3N3O5 — CID 71294774

IUPAC(2R,3R)-3-methoxy-2-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H29N3O3.C2HF3O2/c1-13(17(25-3)15-10-7-11-21-15)18(23)22-16(19(24)20-2)12-14-8-5-4-6-9-14;3-2(4,5)1(6)7/h4-6,8-9,13,15-17,21H,7,10-12H2,1-3H3,(H,20,24)(H,22,23);(H,6,7)/t13-,15+,16+,17-;/m1./s1
InChIKeyNOIXTQDVOZTQJH-WOLLCHHQSA-N
MW461.48 g/mol
LogP1.50
Rot. Bonds8

About (2R,3R)-3-methoxy-2-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;2,2,2-trifluoroacetic acid

(2R,3R)-3-methoxy-2-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;2,2,2-trifluoroacetic acid (PubChem CID 71294774) has the molecular formula C21H30F3N3O5 and a molecular weight of 461.48 g/mol. Its IUPAC name is (2R,3R)-3-methoxy-2-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R,3R)-3-methoxy-2-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;2,2,2-trifluoroacetic acid
PubChem CID71294774
Molecular FormulaC21H30F3N3O5
Molecular Weight461.48 g/mol
Exact Mass461.21
IUPAC Name(2R,3R)-3-methoxy-2-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H29N3O3.C2HF3O2/c1-13(17(25-3)15-10-7-11-21-15)18(23)22-16(19(24)20-2)12-14-8-5-4-6-9-14;3-2(4,5)1(6)7/h4-6,8-9,13,15-17,21H,7,10-12H2,1-3H3,(H,20,24)(H,22,23);(H,6,7)/t13-,15+,16+,17-;/m1./s1
InChIKeyNOIXTQDVOZTQJH-WOLLCHHQSA-N
XLogP1.50
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R,3R)-3-methoxy-2-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;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 (2R,3R)-3-methoxy-2-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R,3R)-3-methoxy-2-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;2,2,2-trifluoroacetic acid (CID 71294774) is (2R,3R)-3-methoxy-2-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R,3R)-3-methoxy-2-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R,3R)-3-methoxy-2-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;2,2,2-trifluoroacetic acid is CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1.O=C(O)C(F)(F)F.
What is the InChIKey of (2R,3R)-3-methoxy-2-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;2,2,2-trifluoroacetic acid?
The InChIKey is NOIXTQDVOZTQJH-WOLLCHHQSA-N. The full InChI is InChI=1S/C19H29N3O3.C2HF3O2/c1-13(17(25-3)15-10-7-11-21-15)18(23)22-16(19(24)20-2)12-14-8-5-4-6-9-14;3-2(4,5)1(6)7/h4-6,8-9,13,15-17,21H,7,10-12H2,1-3H3,(H,20,24)(H,22,23);(H,6,7)/t13-,15+,16+,17-;/m1./s1.
What are the key properties of (2R,3R)-3-methoxy-2-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;2,2,2-trifluoroacetic acid?
(2R,3R)-3-methoxy-2-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 461.48 g/mol, XLogP of 1.50, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methoxy-2-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71294774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).