(4R)-3-[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid

C24H28FNO6S — CID 138699646

About (4R)-3-[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid (PubChem CID 138699646) has the molecular formula C24H28FNO6S and a molecular weight of 477.55 g/mol. Its IUPAC name is (4R)-3-[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

• Compound Name: (4R)-3-[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid
• PubChem CID: 138699646
• Molecular Formula: C24H28FNO6S
• Molecular Weight: 477.55 g/mol
• Exact Mass: 477.16
• IUPAC Name: (4R)-3-[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid
• SMILES: O=C(O)[C@@H]1CS(=O)(=O)CN1C(=O)c1cc(C2CC2)c(OCC23CC4CC(CC2C4)C3)cc1F
• InChI: InChI=1S/C24H28FNO6S/c25-19-7-21(32-11-24-8-13-3-14(9-24)5-16(24)4-13)17(15-1-2-15)6-18(19)22(27)26-12-33(30,31)10-20(26)23(28)29/h6-7,13-16,20H,1-5,8-12H2,(H,28,29)/t13?,14?,16?,20-,24?/m0/s1
• InChIKey: ZVGSEPKBHDWPPI-NNYCAUQUSA-N
• XLogP: 3.19
• TPSA: 100.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.55
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid?

The IUPAC name of (4R)-3-[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid (CID 138699646) is (4R)-3-[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid.

What is the SMILES notation for (4R)-3-[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid?

The canonical SMILES for (4R)-3-[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CS(=O)(=O)CN1C(=O)c1cc(C2CC2)c(OCC23CC4CC(CC2C4)C3)cc1F.

What is the InChIKey of (4R)-3-[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid?

The InChIKey is ZVGSEPKBHDWPPI-NNYCAUQUSA-N. The full InChI is InChI=1S/C24H28FNO6S/c25-19-7-21(32-11-24-8-13-3-14(9-24)5-16(24)4-13)17(15-1-2-15)6-18(19)22(27)26-12-33(30,31)10-20(26)23(28)29/h6-7,13-16,20H,1-5,8-12H2,(H,28,29)/t13?,14?,16?,20-,24?/m0/s1.

What are the key properties of (4R)-3-[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid?

(4R)-3-[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 477.55 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 138699646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).