2-cyclopentyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid

C11H16FNO5S — CID 168713297

IUPAC2-cyclopentyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
SMILESO=C(O)C(C1CCCC1)N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C11H16FNO5S/c12-19(17,18)8-5-9(14)13(6-8)10(11(15)16)7-3-1-2-4-7/h7-8,10H,1-6H2,(H,15,16)
InChIKeyNWYCXNJVABDNQE-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.53
Rot. Bonds4

About 2-cyclopentyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid

2-cyclopentyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid (PubChem CID 168713297) has the molecular formula C11H16FNO5S and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-cyclopentyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
PubChem CID168713297
Molecular FormulaC11H16FNO5S
Molecular Weight293.32 g/mol
Exact Mass293.07
IUPAC Name2-cyclopentyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
SMILESO=C(O)C(C1CCCC1)N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C11H16FNO5S/c12-19(17,18)8-5-9(14)13(6-8)10(11(15)16)7-3-1-2-4-7/h7-8,10H,1-6H2,(H,15,16)
InChIKeyNWYCXNJVABDNQE-UHFFFAOYSA-N
XLogP0.53
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid?
The IUPAC name of 2-cyclopentyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid (CID 168713297) is 2-cyclopentyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid.
What is the SMILES notation for 2-cyclopentyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid?
The canonical SMILES for 2-cyclopentyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid is O=C(O)C(C1CCCC1)N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 2-cyclopentyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid?
The InChIKey is NWYCXNJVABDNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO5S/c12-19(17,18)8-5-9(14)13(6-8)10(11(15)16)7-3-1-2-4-7/h7-8,10H,1-6H2,(H,15,16).
What are the key properties of 2-cyclopentyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid?
2-cyclopentyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid has a molecular weight of 293.32 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 168713297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).