(2S)-2-hydroxy-N-[(3S)-3-hydroxy-3-[(E,2R)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]propanamide

C23H31N3O6 — CID 23846225

About (2S)-2-hydroxy-N-[(3S)-3-hydroxy-3-[(E,2R)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]propanamide

(2S)-2-hydroxy-N-[(3S)-3-hydroxy-3-[(E,2R)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]propanamide (PubChem CID 23846225) has the molecular formula C23H31N3O6 and a molecular weight of 445.52 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[(3S)-3-hydroxy-3-[(E,2R)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-hydroxy-N-[(3S)-3-hydroxy-3-[(E,2R)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]propanamide
• PubChem CID: 23846225
• Molecular Formula: C23H31N3O6
• Molecular Weight: 445.52 g/mol
• Exact Mass: 445.22
• IUPAC Name: (2S)-2-hydroxy-N-[(3S)-3-hydroxy-3-[(E,2R)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]propanamide
• SMILES: C[C@H](O)C(=O)Nc1ccc2c(c1)[C@@](O)([C@H](C)/C=C/CC(=O)N1CCC[C@H]1CO)C(=O)N2C
• InChI: InChI=1S/C23H31N3O6/c1-14(6-4-8-20(29)26-11-5-7-17(26)13-27)23(32)18-12-16(24-21(30)15(2)28)9-10-19(18)25(3)22(23)31/h4,6,9-10,12,14-15,17,27-28,32H,5,7-8,11,13H2,1-3H3,(H,24,30)/b6-4+/t14-,15+,17+,23+/m1/s1
• InChIKey: PWGNDNFOFBCXKS-AXTWAJCSSA-N
• XLogP: 0.74
• TPSA: 130.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.52
LogP ≤ 5	0.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[(3S)-3-hydroxy-3-[(E,2R)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]propanamide?

The IUPAC name of (2S)-2-hydroxy-N-[(3S)-3-hydroxy-3-[(E,2R)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]propanamide (CID 23846225) is (2S)-2-hydroxy-N-[(3S)-3-hydroxy-3-[(E,2R)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]propanamide.

What is the SMILES notation for (2S)-2-hydroxy-N-[(3S)-3-hydroxy-3-[(E,2R)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]propanamide?

The canonical SMILES for (2S)-2-hydroxy-N-[(3S)-3-hydroxy-3-[(E,2R)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]propanamide is C[C@H](O)C(=O)Nc1ccc2c(c1)[C@@](O)([C@H](C)/C=C/CC(=O)N1CCC[C@H]1CO)C(=O)N2C.

What is the InChIKey of (2S)-2-hydroxy-N-[(3S)-3-hydroxy-3-[(E,2R)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]propanamide?

The InChIKey is PWGNDNFOFBCXKS-AXTWAJCSSA-N. The full InChI is InChI=1S/C23H31N3O6/c1-14(6-4-8-20(29)26-11-5-7-17(26)13-27)23(32)18-12-16(24-21(30)15(2)28)9-10-19(18)25(3)22(23)31/h4,6,9-10,12,14-15,17,27-28,32H,5,7-8,11,13H2,1-3H3,(H,24,30)/b6-4+/t14-,15+,17+,23+/m1/s1.

What are the key properties of (2S)-2-hydroxy-N-[(3S)-3-hydroxy-3-[(E,2R)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]propanamide?

(2S)-2-hydroxy-N-[(3S)-3-hydroxy-3-[(E,2R)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]propanamide has a molecular weight of 445.52 g/mol, XLogP of 0.74, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-hydroxy-N-[(3S)-3-hydroxy-3-[(E,2R)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]propanamide is sourced from PubChem (CID 23846225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).