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

C8H12FNO6S — CID 168713395

IUPAC(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-hydroxybutanoic acid
SMILESO=C(O)[C@H](CCO)N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C8H12FNO6S/c9-17(15,16)5-3-7(12)10(4-5)6(1-2-11)8(13)14/h5-6,11H,1-4H2,(H,13,14)/t5?,6-/m0/s1
InChIKeyCNLPWLPZBKFACP-GDVGLLTNSA-N
MW269.25 g/mol
LogP-1.28
Rot. Bonds5

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

(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-hydroxybutanoic acid (PubChem CID 168713395) has the molecular formula C8H12FNO6S and a molecular weight of 269.25 g/mol. Its IUPAC name is (2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-hydroxybutanoic acid
PubChem CID168713395
Molecular FormulaC8H12FNO6S
Molecular Weight269.25 g/mol
Exact Mass269.04
IUPAC Name(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-hydroxybutanoic acid
SMILESO=C(O)[C@H](CCO)N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C8H12FNO6S/c9-17(15,16)5-3-7(12)10(4-5)6(1-2-11)8(13)14/h5-6,11H,1-4H2,(H,13,14)/t5?,6-/m0/s1
InChIKeyCNLPWLPZBKFACP-GDVGLLTNSA-N
XLogP-1.28
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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)-5-methoxy-5-oxopentanoic acid
CID 168713239
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid
CID 168713067
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-methylsulfinylbutanoic acid
CID 168713039
3-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168713336
(2R)-3-(2-fluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168713423
(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
3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid
CID 168713105
2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxypropanoic acid
CID 168674925
2-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168713285
2-(3-bromophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168713291
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-hydroxybutanoic acid
CID 168655684

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-hydroxybutanoic acid?
The IUPAC name of (2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-hydroxybutanoic acid (CID 168713395) is (2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-hydroxybutanoic acid is O=C(O)[C@H](CCO)N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of (2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-hydroxybutanoic acid?
The InChIKey is CNLPWLPZBKFACP-GDVGLLTNSA-N. The full InChI is InChI=1S/C8H12FNO6S/c9-17(15,16)5-3-7(12)10(4-5)6(1-2-11)8(13)14/h5-6,11H,1-4H2,(H,13,14)/t5?,6-/m0/s1.
What are the key properties of (2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-hydroxybutanoic acid?
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-hydroxybutanoic acid has a molecular weight of 269.25 g/mol, XLogP of -1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-hydroxybutanoic acid is sourced from PubChem (CID 168713395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).