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

C8H12FNO5S — CID 168674854

IUPAC(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
SMILESC[C@@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C8H12FNO5S/c1-5(8(12)13)10-3-6(2-7(10)11)4-16(9,14)15/h5-6H,2-4H2,1H3,(H,12,13)/t5-,6?/m0/s1
InChIKeyGMXPUZIXZXXNEL-ZBHICJROSA-N
MW253.25 g/mol
LogP-0.39
Rot. Bonds4

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

(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid (PubChem CID 168674854) has the molecular formula C8H12FNO5S and a molecular weight of 253.25 g/mol. Its IUPAC name is (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
PubChem CID168674854
Molecular FormulaC8H12FNO5S
Molecular Weight253.25 g/mol
Exact Mass253.04
IUPAC Name(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
SMILESC[C@@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C8H12FNO5S/c1-5(8(12)13)10-3-6(2-7(10)11)4-16(9,14)15/h5-6H,2-4H2,1H3,(H,12,13)/t5-,6?/m0/s1
InChIKeyGMXPUZIXZXXNEL-ZBHICJROSA-N
XLogP-0.39
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 5-0.39
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]propanoic acid?
The IUPAC name of (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid (CID 168674854) is (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid?
The canonical SMILES for (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid is C[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]propanoic acid?
The InChIKey is GMXPUZIXZXXNEL-ZBHICJROSA-N. The full InChI is InChI=1S/C8H12FNO5S/c1-5(8(12)13)10-3-6(2-7(10)11)4-16(9,14)15/h5-6H,2-4H2,1H3,(H,12,13)/t5-,6?/m0/s1.
What are the key properties of (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid?
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid has a molecular weight of 253.25 g/mol, XLogP of -0.39, 4 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]propanoic acid is sourced from PubChem (CID 168674854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).