(2R,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]butanoic acid

C13H22FNO6S — CID 168674639

About (2R,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]butanoic acid

(2R,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]butanoic acid (PubChem CID 168674639) has the molecular formula C13H22FNO6S and a molecular weight of 339.39 g/mol. Its IUPAC name is (2R,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]butanoic acid.

Molecular Properties

• Compound Name: (2R,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]butanoic acid
• PubChem CID: 168674639
• Molecular Formula: C13H22FNO6S
• Molecular Weight: 339.39 g/mol
• Exact Mass: 339.12
• IUPAC Name: (2R,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]butanoic acid
• SMILES: C[C@H](OC(C)(C)C)[C@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
• InChI: InChI=1S/C13H22FNO6S/c1-8(21-13(2,3)4)11(12(17)18)15-6-9(5-10(15)16)7-22(14,19)20/h8-9,11H,5-7H2,1-4H3,(H,17,18)/t8-,9?,11+/m0/s1
• InChIKey: FJGKFBIPNKBLCF-PGIIIRCOSA-N
• XLogP: 0.79
• TPSA: 100.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.39
LogP ≤ 5	0.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]butanoic acid?

The IUPAC name of (2R,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]butanoic acid (CID 168674639) is (2R,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]butanoic acid.

What is the SMILES notation for (2R,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]butanoic acid?

The canonical SMILES for (2R,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]butanoic acid is C[C@H](OC(C)(C)C)[C@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O.

What is the InChIKey of (2R,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]butanoic acid?

The InChIKey is FJGKFBIPNKBLCF-PGIIIRCOSA-N. The full InChI is InChI=1S/C13H22FNO6S/c1-8(21-13(2,3)4)11(12(17)18)15-6-9(5-10(15)16)7-22(14,19)20/h8-9,11H,5-7H2,1-4H3,(H,17,18)/t8-,9?,11+/m0/s1.

What are the key properties of (2R,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]butanoic acid?

(2R,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]butanoic acid has a molecular weight of 339.39 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]butanoic acid is sourced from PubChem (CID 168674639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).