(2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid

C11H18FNO5S — CID 168674629

IUPAC(2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H18FNO5S/c1-3-7(2)10(11(15)16)13-5-8(4-9(13)14)6-19(12,17)18/h7-8,10H,3-6H2,1-2H3,(H,15,16)/t7-,8?,10-/m0/s1
InChIKeyQDXWHBINVRKEAB-OFQRNFBNSA-N
MW295.33 g/mol
LogP0.63
Rot. Bonds6

About (2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid

(2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid (PubChem CID 168674629) has the molecular formula C11H18FNO5S and a molecular weight of 295.33 g/mol. Its IUPAC name is (2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid
PubChem CID168674629
Molecular FormulaC11H18FNO5S
Molecular Weight295.33 g/mol
Exact Mass295.09
IUPAC Name(2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H18FNO5S/c1-3-7(2)10(11(15)16)13-5-8(4-9(13)14)6-19(12,17)18/h7-8,10H,3-6H2,1-2H3,(H,15,16)/t7-,8?,10-/m0/s1
InChIKeyQDXWHBINVRKEAB-OFQRNFBNSA-N
XLogP0.63
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Acetyl-4-(fluorosulfonyl)pyrrolidine-2-carboxylic acid
CID 165941421
2-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid
CID 168674628
[1-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674630
(2R,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid
CID 168674631
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-methylsulfinylbutanoic acid
CID 168674635
2-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pent-4-ynoic acid
CID 168674660
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pent-4-ynoic acid
CID 168674661
2-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
CID 168674665
2-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid
CID 168674666
3-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4,4-dimethylpentanoic acid
CID 168674667
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid
CID 168674694
(2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methyl-3-sulfanylbutanoic acid
CID 168674696

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid (CID 168674629) is (2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid is CC[C@H](C)[C@@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of (2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid?
The InChIKey is QDXWHBINVRKEAB-OFQRNFBNSA-N. The full InChI is InChI=1S/C11H18FNO5S/c1-3-7(2)10(11(15)16)13-5-8(4-9(13)14)6-19(12,17)18/h7-8,10H,3-6H2,1-2H3,(H,15,16)/t7-,8?,10-/m0/s1.
What are the key properties of (2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid?
(2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid has a molecular weight of 295.33 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid is sourced from PubChem (CID 168674629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).