(3R,3'S,4'S,5'R)-4'-(2-fluoropropan-2-yl)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-prop-2-enylspiro[indole-3,2'-oxolane]-2-one

C28H36FN3O6 — CID 23930531

About (3R,3'S,4'S,5'R)-4'-(2-fluoropropan-2-yl)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-prop-2-enylspiro[indole-3,2'-oxolane]-2-one

(3R,3'S,4'S,5'R)-4'-(2-fluoropropan-2-yl)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-prop-2-enylspiro[indole-3,2'-oxolane]-2-one (PubChem CID 23930531) has the molecular formula C28H36FN3O6 and a molecular weight of 529.61 g/mol. Its IUPAC name is (3R,3'S,4'S,5'R)-4'-(2-fluoropropan-2-yl)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-prop-2-enylspiro[indole-3,2'-oxolane]-2-one.

Molecular Properties

• Compound Name: (3R,3'S,4'S,5'R)-4'-(2-fluoropropan-2-yl)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-prop-2-enylspiro[indole-3,2'-oxolane]-2-one
• PubChem CID: 23930531
• Molecular Formula: C28H36FN3O6
• Molecular Weight: 529.61 g/mol
• Exact Mass: 529.26
• IUPAC Name: (3R,3'S,4'S,5'R)-4'-(2-fluoropropan-2-yl)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-prop-2-enylspiro[indole-3,2'-oxolane]-2-one
• SMILES: C=CCN1C(=O)[C@]2(O[C@H](CC(=O)N3CCC[C@H]3CO)[C@@H](C(C)(C)F)[C@@H]2C)c2cc(N3CCOC3=O)ccc21
• InChI: InChI=1S/C28H36FN3O6/c1-5-10-32-21-9-8-18(31-12-13-37-26(31)36)14-20(21)28(25(32)35)17(2)24(27(3,4)29)22(38-28)15-23(34)30-11-6-7-19(30)16-33/h5,8-9,14,17,19,22,24,33H,1,6-7,10-13,15-16H2,2-4H3/t17-,19-,22+,24-,28+/m0/s1
• InChIKey: ZTKBJMLAXSKXSY-UWGVNFJNSA-N
• XLogP: 3.14
• TPSA: 99.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.61
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
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 (3R,3'S,4'S,5'R)-4'-(2-fluoropropan-2-yl)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-prop-2-enylspiro[indole-3,2'-oxolane]-2-one?

The IUPAC name of (3R,3'S,4'S,5'R)-4'-(2-fluoropropan-2-yl)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-prop-2-enylspiro[indole-3,2'-oxolane]-2-one (CID 23930531) is (3R,3'S,4'S,5'R)-4'-(2-fluoropropan-2-yl)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-prop-2-enylspiro[indole-3,2'-oxolane]-2-one.

What is the SMILES notation for (3R,3'S,4'S,5'R)-4'-(2-fluoropropan-2-yl)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-prop-2-enylspiro[indole-3,2'-oxolane]-2-one?

The canonical SMILES for (3R,3'S,4'S,5'R)-4'-(2-fluoropropan-2-yl)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-prop-2-enylspiro[indole-3,2'-oxolane]-2-one is C=CCN1C(=O)[C@]2(O[C@H](CC(=O)N3CCC[C@H]3CO)[C@@H](C(C)(C)F)[C@@H]2C)c2cc(N3CCOC3=O)ccc21.

What is the InChIKey of (3R,3'S,4'S,5'R)-4'-(2-fluoropropan-2-yl)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-prop-2-enylspiro[indole-3,2'-oxolane]-2-one?

The InChIKey is ZTKBJMLAXSKXSY-UWGVNFJNSA-N. The full InChI is InChI=1S/C28H36FN3O6/c1-5-10-32-21-9-8-18(31-12-13-37-26(31)36)14-20(21)28(25(32)35)17(2)24(27(3,4)29)22(38-28)15-23(34)30-11-6-7-19(30)16-33/h5,8-9,14,17,19,22,24,33H,1,6-7,10-13,15-16H2,2-4H3/t17-,19-,22+,24-,28+/m0/s1.

What are the key properties of (3R,3'S,4'S,5'R)-4'-(2-fluoropropan-2-yl)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-prop-2-enylspiro[indole-3,2'-oxolane]-2-one?

(3R,3'S,4'S,5'R)-4'-(2-fluoropropan-2-yl)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-prop-2-enylspiro[indole-3,2'-oxolane]-2-one has a molecular weight of 529.61 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,3'S,4'S,5'R)-4'-(2-fluoropropan-2-yl)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1-prop-2-enylspiro[indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23930531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).