(2R)-2-hydroxy-N,4-dimethyl-N-[(2S)-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]pentanamide

C19H30F3N3O6 — CID 170028297

About (2R)-2-hydroxy-N,4-dimethyl-N-[(2S)-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]pentanamide

(2R)-2-hydroxy-N,4-dimethyl-N-[(2S)-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]pentanamide (PubChem CID 170028297) has the molecular formula C19H30F3N3O6 and a molecular weight of 453.46 g/mol. Its IUPAC name is (2R)-2-hydroxy-N,4-dimethyl-N-[(2S)-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]pentanamide.

Molecular Properties

• Compound Name: (2R)-2-hydroxy-N,4-dimethyl-N-[(2S)-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]pentanamide
• PubChem CID: 170028297
• Molecular Formula: C19H30F3N3O6
• Molecular Weight: 453.46 g/mol
• Exact Mass: 453.21
• IUPAC Name: (2R)-2-hydroxy-N,4-dimethyl-N-[(2S)-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]pentanamide
• SMILES: CC(C)C[C@@H](O)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F
• InChI: InChI=1S/C19H30F3N3O6/c1-10(2)7-14(26)18(30)25(4)11(3)16(28)24-13(8-12-5-6-23-17(12)29)15(27)9-31-19(20,21)22/h10-14,26H,5-9H2,1-4H3,(H,23,29)(H,24,28)/t11-,12-,13-,14+/m0/s1
• InChIKey: YAOBJGASYCVEMB-XDQVBPFNSA-N
• XLogP: 0.36
• TPSA: 125.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.46
LogP ≤ 5	0.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N,4-dimethyl-N-[(2S)-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]pentanamide?

The IUPAC name of (2R)-2-hydroxy-N,4-dimethyl-N-[(2S)-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]pentanamide (CID 170028297) is (2R)-2-hydroxy-N,4-dimethyl-N-[(2S)-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]pentanamide.

What is the SMILES notation for (2R)-2-hydroxy-N,4-dimethyl-N-[(2S)-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]pentanamide?

The canonical SMILES for (2R)-2-hydroxy-N,4-dimethyl-N-[(2S)-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]pentanamide is CC(C)C[C@@H](O)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F.

What is the InChIKey of (2R)-2-hydroxy-N,4-dimethyl-N-[(2S)-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]pentanamide?

The InChIKey is YAOBJGASYCVEMB-XDQVBPFNSA-N. The full InChI is InChI=1S/C19H30F3N3O6/c1-10(2)7-14(26)18(30)25(4)11(3)16(28)24-13(8-12-5-6-23-17(12)29)15(27)9-31-19(20,21)22/h10-14,26H,5-9H2,1-4H3,(H,23,29)(H,24,28)/t11-,12-,13-,14+/m0/s1.

What are the key properties of (2R)-2-hydroxy-N,4-dimethyl-N-[(2S)-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]pentanamide?

(2R)-2-hydroxy-N,4-dimethyl-N-[(2S)-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]pentanamide has a molecular weight of 453.46 g/mol, XLogP of 0.36, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-hydroxy-N,4-dimethyl-N-[(2S)-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]pentanamide is sourced from PubChem (CID 170028297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).