[(2S)-2-(2,2-dimethylpropanoylamino)-3-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

C24H32F3N3O6 — CID 23236677

IUPAC[(2S)-2-(2,2-dimethylpropanoylamino)-3-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
SMILESCNC(=O)[C@@H]1CCCN1C(=O)[C@H](COC(=O)[C@](OC)(c1ccccc1)C(F)(F)F)NC(=O)C(C)(C)C
InChIInChI=1S/C24H32F3N3O6/c1-22(2,3)20(33)29-16(19(32)30-13-9-12-17(30)18(31)28-4)14-36-21(34)23(35-5,24(25,26)27)15-10-7-6-8-11-15/h6-8,10-11,16-17H,9,12-14H2,1-5H3,(H,28,31)(H,29,33)/t16-,17-,23+/m0/s1
InChIKeyIKZBJAZCZVLWKE-HKARXFIJSA-N
MW515.53 g/mol
LogP1.90
Rot. Bonds8

About [(2S)-2-(2,2-dimethylpropanoylamino)-3-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

[(2S)-2-(2,2-dimethylpropanoylamino)-3-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate (PubChem CID 23236677) has the molecular formula C24H32F3N3O6 and a molecular weight of 515.53 g/mol. Its IUPAC name is [(2S)-2-(2,2-dimethylpropanoylamino)-3-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate.

Molecular Properties

Compound Name[(2S)-2-(2,2-dimethylpropanoylamino)-3-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
PubChem CID23236677
Molecular FormulaC24H32F3N3O6
Molecular Weight515.53 g/mol
Exact Mass515.22
IUPAC Name[(2S)-2-(2,2-dimethylpropanoylamino)-3-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
SMILESCNC(=O)[C@@H]1CCCN1C(=O)[C@H](COC(=O)[C@](OC)(c1ccccc1)C(F)(F)F)NC(=O)C(C)(C)C
InChIInChI=1S/C24H32F3N3O6/c1-22(2,3)20(33)29-16(19(32)30-13-9-12-17(30)18(31)28-4)14-36-21(34)23(35-5,24(25,26)27)15-10-7-6-8-11-15/h6-8,10-11,16-17H,9,12-14H2,1-5H3,(H,28,31)(H,29,33)/t16-,17-,23+/m0/s1
InChIKeyIKZBJAZCZVLWKE-HKARXFIJSA-N
XLogP1.90
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.53
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2S)-2-(2,2-dimethylpropanoylamino)-3-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate 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 [(2S)-2-(2,2-dimethylpropanoylamino)-3-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate?
The IUPAC name of [(2S)-2-(2,2-dimethylpropanoylamino)-3-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate (CID 23236677) is [(2S)-2-(2,2-dimethylpropanoylamino)-3-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate.
What is the SMILES notation for [(2S)-2-(2,2-dimethylpropanoylamino)-3-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate?
The canonical SMILES for [(2S)-2-(2,2-dimethylpropanoylamino)-3-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate is CNC(=O)[C@@H]1CCCN1C(=O)[C@H](COC(=O)[C@](OC)(c1ccccc1)C(F)(F)F)NC(=O)C(C)(C)C.
What is the InChIKey of [(2S)-2-(2,2-dimethylpropanoylamino)-3-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate?
The InChIKey is IKZBJAZCZVLWKE-HKARXFIJSA-N. The full InChI is InChI=1S/C24H32F3N3O6/c1-22(2,3)20(33)29-16(19(32)30-13-9-12-17(30)18(31)28-4)14-36-21(34)23(35-5,24(25,26)27)15-10-7-6-8-11-15/h6-8,10-11,16-17H,9,12-14H2,1-5H3,(H,28,31)(H,29,33)/t16-,17-,23+/m0/s1.
What are the key properties of [(2S)-2-(2,2-dimethylpropanoylamino)-3-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate?
[(2S)-2-(2,2-dimethylpropanoylamino)-3-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate has a molecular weight of 515.53 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2,2-dimethylpropanoylamino)-3-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate is sourced from PubChem (CID 23236677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).