(2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[(2S)-1-(2,3-dihydro-1H-inden-1-ylamino)-4,4-difluoro-1-oxobutan-2-yl]pyrrolidine-2-carboxamide

C24H34F2N4O3 — CID 70336677

About (2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[(2S)-1-(2,3-dihydro-1H-inden-1-ylamino)-4,4-difluoro-1-oxobutan-2-yl]pyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[(2S)-1-(2,3-dihydro-1H-inden-1-ylamino)-4,4-difluoro-1-oxobutan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 70336677) has the molecular formula C24H34F2N4O3 and a molecular weight of 464.56 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[(2S)-1-(2,3-dihydro-1H-inden-1-ylamino)-4,4-difluoro-1-oxobutan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[(2S)-1-(2,3-dihydro-1H-inden-1-ylamino)-4,4-difluoro-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
• PubChem CID: 70336677
• Molecular Formula: C24H34F2N4O3
• Molecular Weight: 464.56 g/mol
• Exact Mass: 464.26
• IUPAC Name: (2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[(2S)-1-(2,3-dihydro-1H-inden-1-ylamino)-4,4-difluoro-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
• SMILES: CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NC1CCc2ccccc21
• InChI: InChI=1S/C24H34F2N4O3/c1-24(2,3)20(27)23(33)30-12-6-9-18(30)22(32)29-17(13-19(25)26)21(31)28-16-11-10-14-7-4-5-8-15(14)16/h4-5,7-8,16-20H,6,9-13,27H2,1-3H3,(H,28,31)(H,29,32)/t16?,17-,18-,20+/m0/s1
• InChIKey: RYSNGSNCMPXZHF-UWMRZMSRSA-N
• XLogP: 2.29
• TPSA: 104.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.56
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[(2S)-1-(2,3-dihydro-1H-inden-1-ylamino)-4,4-difluoro-1-oxobutan-2-yl]pyrrolidine-2-carboxamide?

The IUPAC name of (2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[(2S)-1-(2,3-dihydro-1H-inden-1-ylamino)-4,4-difluoro-1-oxobutan-2-yl]pyrrolidine-2-carboxamide (CID 70336677) is (2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[(2S)-1-(2,3-dihydro-1H-inden-1-ylamino)-4,4-difluoro-1-oxobutan-2-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[(2S)-1-(2,3-dihydro-1H-inden-1-ylamino)-4,4-difluoro-1-oxobutan-2-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[(2S)-1-(2,3-dihydro-1H-inden-1-ylamino)-4,4-difluoro-1-oxobutan-2-yl]pyrrolidine-2-carboxamide is CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NC1CCc2ccccc21.

What is the InChIKey of (2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[(2S)-1-(2,3-dihydro-1H-inden-1-ylamino)-4,4-difluoro-1-oxobutan-2-yl]pyrrolidine-2-carboxamide?

The InChIKey is RYSNGSNCMPXZHF-UWMRZMSRSA-N. The full InChI is InChI=1S/C24H34F2N4O3/c1-24(2,3)20(27)23(33)30-12-6-9-18(30)22(32)29-17(13-19(25)26)21(31)28-16-11-10-14-7-4-5-8-15(14)16/h4-5,7-8,16-20H,6,9-13,27H2,1-3H3,(H,28,31)(H,29,32)/t16?,17-,18-,20+/m0/s1.

What are the key properties of (2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[(2S)-1-(2,3-dihydro-1H-inden-1-ylamino)-4,4-difluoro-1-oxobutan-2-yl]pyrrolidine-2-carboxamide?

(2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[(2S)-1-(2,3-dihydro-1H-inden-1-ylamino)-4,4-difluoro-1-oxobutan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 464.56 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[(2S)-1-(2,3-dihydro-1H-inden-1-ylamino)-4,4-difluoro-1-oxobutan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 70336677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).