2-cyclopentyl-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]acetic acid

C12H18FNO5S — CID 168674893

IUPAC2-cyclopentyl-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]acetic acid
SMILESO=C(O)C(C1CCCC1)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C12H18FNO5S/c13-20(18,19)7-8-5-10(15)14(6-8)11(12(16)17)9-3-1-2-4-9/h8-9,11H,1-7H2,(H,16,17)
InChIKeyNGWWAJCMYNDYDR-UHFFFAOYSA-N
MW307.34 g/mol
LogP0.78
Rot. Bonds5

About 2-cyclopentyl-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]acetic acid

2-cyclopentyl-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]acetic acid (PubChem CID 168674893) has the molecular formula C12H18FNO5S and a molecular weight of 307.34 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]acetic acid
PubChem CID168674893
Molecular FormulaC12H18FNO5S
Molecular Weight307.34 g/mol
Exact Mass307.09
IUPAC Name2-cyclopentyl-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]acetic acid
SMILESO=C(O)C(C1CCCC1)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C12H18FNO5S/c13-20(18,19)7-8-5-10(15)14(6-8)11(12(16)17)9-3-1-2-4-9/h8-9,11H,1-7H2,(H,16,17)
InChIKeyNGWWAJCMYNDYDR-UHFFFAOYSA-N
XLogP0.78
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 50.78
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-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-cyclopentyl-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]acetic acid (CID 168674893) is 2-cyclopentyl-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-cyclopentyl-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-cyclopentyl-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]acetic acid is O=C(O)C(C1CCCC1)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of 2-cyclopentyl-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]acetic acid?
The InChIKey is NGWWAJCMYNDYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO5S/c13-20(18,19)7-8-5-10(15)14(6-8)11(12(16)17)9-3-1-2-4-9/h8-9,11H,1-7H2,(H,16,17).
What are the key properties of 2-cyclopentyl-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]acetic acid?
2-cyclopentyl-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]acetic acid has a molecular weight of 307.34 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 168674893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).