(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoic acid

C10H16FNO5S — CID 168674816

IUPAC(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
SMILESCCC[C@@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H16FNO5S/c1-2-3-8(10(14)15)12-5-7(4-9(12)13)6-18(11,16)17/h7-8H,2-6H2,1H3,(H,14,15)/t7?,8-/m0/s1
InChIKeyYTIKEPVWBRVABG-MQWKRIRWSA-N
MW281.30 g/mol
LogP0.39
Rot. Bonds6

About (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoic acid

(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoic acid (PubChem CID 168674816) has the molecular formula C10H16FNO5S and a molecular weight of 281.30 g/mol. Its IUPAC name is (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
PubChem CID168674816
Molecular FormulaC10H16FNO5S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC Name(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
SMILESCCC[C@@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H16FNO5S/c1-2-3-8(10(14)15)12-5-7(4-9(12)13)6-18(11,16)17/h7-8H,2-6H2,1H3,(H,14,15)/t7?,8-/m0/s1
InChIKeyYTIKEPVWBRVABG-MQWKRIRWSA-N
XLogP0.39
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoic acid?
The IUPAC name of (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoic acid (CID 168674816) is (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoic acid.
What is the SMILES notation for (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoic acid?
The canonical SMILES for (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoic acid is CCC[C@@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoic acid?
The InChIKey is YTIKEPVWBRVABG-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H16FNO5S/c1-2-3-8(10(14)15)12-5-7(4-9(12)13)6-18(11,16)17/h7-8H,2-6H2,1H3,(H,14,15)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoic acid?
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoic acid has a molecular weight of 281.30 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoic acid is sourced from PubChem (CID 168674816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).