7-[3-[[4-[(5R)-5-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

C29H29F2N5O7 — CID 69122475

About 7-[3-[[4-[(5R)-5-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-[3-[[4-[(5R)-5-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 69122475) has the molecular formula C29H29F2N5O7 and a molecular weight of 597.58 g/mol. Its IUPAC name is 7-[3-[[4-[(5R)-5-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[3-[[4-[(5R)-5-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 69122475
• Molecular Formula: C29H29F2N5O7
• Molecular Weight: 597.58 g/mol
• Exact Mass: 597.20
• IUPAC Name: 7-[3-[[4-[(5R)-5-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: CC(=O)[C@@H](N)[C@H]1CN(c2ccc(OCC3CCN(c4nc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)C3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C29H29F2N5O7/c1-14(37)24(32)23-12-36(29(41)43-23)17-4-5-22(20(30)8-17)42-13-15-6-7-34(10-15)27-21(31)9-18-25(38)19(28(39)40)11-35(16-2-3-16)26(18)33-27/h4-5,8-9,11,15-16,23-24H,2-3,6-7,10,12-13,32H2,1H3,(H,39,40)/t15?,23-,24-/m1/s1
• InChIKey: UTVKKAXWOULOGK-VZGDKXFQSA-N
• XLogP: 2.85
• TPSA: 157.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	597.58
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-[3-[[4-[(5R)-5-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 7-[3-[[4-[(5R)-5-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 69122475) is 7-[3-[[4-[(5R)-5-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 7-[3-[[4-[(5R)-5-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 7-[3-[[4-[(5R)-5-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is CC(=O)[C@@H](N)[C@H]1CN(c2ccc(OCC3CCN(c4nc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)C3)c(F)c2)C(=O)O1.

What is the InChIKey of 7-[3-[[4-[(5R)-5-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is UTVKKAXWOULOGK-VZGDKXFQSA-N. The full InChI is InChI=1S/C29H29F2N5O7/c1-14(37)24(32)23-12-36(29(41)43-23)17-4-5-22(20(30)8-17)42-13-15-6-7-34(10-15)27-21(31)9-18-25(38)19(28(39)40)11-35(16-2-3-16)26(18)33-27/h4-5,8-9,11,15-16,23-24H,2-3,6-7,10,12-13,32H2,1H3,(H,39,40)/t15?,23-,24-/m1/s1.

What are the key properties of 7-[3-[[4-[(5R)-5-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?

7-[3-[[4-[(5R)-5-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 597.58 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[[4-[(5R)-5-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 69122475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).