1-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylic acid

C8H10FNO5S — CID 168714744

IUPAC1-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylic acid
SMILESO=C1CC(S(=O)(=O)F)CN1C1(C(=O)O)CC1
InChIInChI=1S/C8H10FNO5S/c9-16(14,15)5-3-6(11)10(4-5)8(1-2-8)7(12)13/h5H,1-4H2,(H,12,13)
InChIKeyFYWYJKYCNSXBKF-UHFFFAOYSA-N
MW251.23 g/mol
LogP-0.50
Rot. Bonds3

About 1-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylic acid

1-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylic acid (PubChem CID 168714744) has the molecular formula C8H10FNO5S and a molecular weight of 251.23 g/mol. Its IUPAC name is 1-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylic acid
PubChem CID168714744
Molecular FormulaC8H10FNO5S
Molecular Weight251.23 g/mol
Exact Mass251.03
IUPAC Name1-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylic acid
SMILESO=C1CC(S(=O)(=O)F)CN1C1(C(=O)O)CC1
InChIInChI=1S/C8H10FNO5S/c9-16(14,15)5-3-6(11)10(4-5)8(1-2-8)7(12)13/h5H,1-4H2,(H,12,13)
InChIKeyFYWYJKYCNSXBKF-UHFFFAOYSA-N
XLogP-0.50
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)oxane-4-carboxylic acid
CID 168714750
1-(2-oxo-4-sulfanylpyrrolidin-1-yl)cyclopropane-1-carboxylic acid
CID 168709235
1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopropane-1-carboxylic acid
CID 168662970
1-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713551
1-(1-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691308
(2S,3S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid
CID 168713040
1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid
CID 168662973
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-hydroxybutanoic acid
CID 168713395
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid
CID 168713114
7-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168714799
1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713837
3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid
CID 168713105

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylic acid (CID 168714744) is 1-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylic acid is O=C1CC(S(=O)(=O)F)CN1C1(C(=O)O)CC1.
What is the InChIKey of 1-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylic acid?
The InChIKey is FYWYJKYCNSXBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO5S/c9-16(14,15)5-3-6(11)10(4-5)8(1-2-8)7(12)13/h5H,1-4H2,(H,12,13).
What are the key properties of 1-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylic acid?
1-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylic acid has a molecular weight of 251.23 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 168714744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).