(2S,3S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid

C8H12FNO6S — CID 168713040

IUPAC(2S,3S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid
SMILESC[C@H](O)[C@@H](C(=O)O)N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C8H12FNO6S/c1-4(11)7(8(13)14)10-3-5(2-6(10)12)17(9,15)16/h4-5,7,11H,2-3H2,1H3,(H,13,14)/t4-,5?,7-/m0/s1
InChIKeyBXLJYYYWPTTZMZ-VZWBMFKNSA-N
MW269.25 g/mol
LogP-1.28
Rot. Bonds4

About (2S,3S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid

(2S,3S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid (PubChem CID 168713040) has the molecular formula C8H12FNO6S and a molecular weight of 269.25 g/mol. Its IUPAC name is (2S,3S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid
PubChem CID168713040
Molecular FormulaC8H12FNO6S
Molecular Weight269.25 g/mol
Exact Mass269.04
IUPAC Name(2S,3S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid
SMILESC[C@H](O)[C@@H](C(=O)O)N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C8H12FNO6S/c1-4(11)7(8(13)14)10-3-5(2-6(10)12)17(9,15)16/h4-5,7,11H,2-3H2,1H3,(H,13,14)/t4-,5?,7-/m0/s1
InChIKeyBXLJYYYWPTTZMZ-VZWBMFKNSA-N
XLogP-1.28
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid
CID 168713114
3-hydroxy-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716351
(2R,3S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid
CID 168698683
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-hydroxybutanoic acid
CID 168713395
(2S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716442
3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716429
3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid
CID 168713105
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-methylsulfinylbutanoic acid
CID 168713039
3-hydroxy-2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]butanoic acid
CID 168669110
2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168713247
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-5-methoxy-5-oxopentanoic acid
CID 168713239
(2S,3S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pentanoic acid
CID 168716361

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid?
The IUPAC name of (2S,3S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid (CID 168713040) is (2S,3S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid is C[C@H](O)[C@@H](C(=O)O)N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of (2S,3S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid?
The InChIKey is BXLJYYYWPTTZMZ-VZWBMFKNSA-N. The full InChI is InChI=1S/C8H12FNO6S/c1-4(11)7(8(13)14)10-3-5(2-6(10)12)17(9,15)16/h4-5,7,11H,2-3H2,1H3,(H,13,14)/t4-,5?,7-/m0/s1.
What are the key properties of (2S,3S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid?
(2S,3S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid has a molecular weight of 269.25 g/mol, XLogP of -1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid is sourced from PubChem (CID 168713040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).