(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-5-methoxy-5-oxopentanoic acid

C10H14FNO7S — CID 168713239

IUPAC(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](C(=O)O)N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H14FNO7S/c1-19-9(14)3-2-7(10(15)16)12-5-6(4-8(12)13)20(11,17)18/h6-7H,2-5H2,1H3,(H,15,16)/t6?,7-/m0/s1
InChIKeyFJEUZCIRCMLQLG-MLWJPKLSSA-N
MW311.29 g/mol
LogP-0.71
Rot. Bonds6

About (2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-5-methoxy-5-oxopentanoic acid

(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-5-methoxy-5-oxopentanoic acid (PubChem CID 168713239) has the molecular formula C10H14FNO7S and a molecular weight of 311.29 g/mol. Its IUPAC name is (2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-5-methoxy-5-oxopentanoic acid
PubChem CID168713239
Molecular FormulaC10H14FNO7S
Molecular Weight311.29 g/mol
Exact Mass311.05
IUPAC Name(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](C(=O)O)N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H14FNO7S/c1-19-9(14)3-2-7(10(15)16)12-5-6(4-8(12)13)20(11,17)18/h6-7H,2-5H2,1H3,(H,15,16)/t6?,7-/m0/s1
InChIKeyFJEUZCIRCMLQLG-MLWJPKLSSA-N
XLogP-0.71
TPSA118.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-hydroxybutanoic acid
CID 168713395
(2S)-5-methoxy-5-oxo-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680322
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-methylsulfinylbutanoic acid
CID 168713039
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid
CID 168713067
3-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168713336
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid
CID 168713114
(2S,3S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid
CID 168713040
(2R)-3-(2-fluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168713423
3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid
CID 168713105
2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168713247
2-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168713285
(2S)-5-ethoxy-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-5-oxopentanoic acid
CID 168661674

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-5-methoxy-5-oxopentanoic acid (CID 168713239) is (2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-5-methoxy-5-oxopentanoic acid is COC(=O)CC[C@@H](C(=O)O)N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of (2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-5-methoxy-5-oxopentanoic acid?
The InChIKey is FJEUZCIRCMLQLG-MLWJPKLSSA-N. The full InChI is InChI=1S/C10H14FNO7S/c1-19-9(14)3-2-7(10(15)16)12-5-6(4-8(12)13)20(11,17)18/h6-7H,2-5H2,1H3,(H,15,16)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-5-methoxy-5-oxopentanoic acid?
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-5-methoxy-5-oxopentanoic acid has a molecular weight of 311.29 g/mol, XLogP of -0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 168713239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).