2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pent-4-enoic acid

C10H14FNO5S — CID 168674662

IUPAC2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pent-4-enoic acid
SMILESC=CCC(C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H14FNO5S/c1-2-3-8(10(14)15)12-5-7(4-9(12)13)6-18(11,16)17/h2,7-8H,1,3-6H2,(H,14,15)
InChIKeyCQPZAZKNIFMKAV-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.16
Rot. Bonds6

About 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pent-4-enoic acid

2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pent-4-enoic acid (PubChem CID 168674662) has the molecular formula C10H14FNO5S and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pent-4-enoic acid.

Molecular Properties

Compound Name2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pent-4-enoic acid
PubChem CID168674662
Molecular FormulaC10H14FNO5S
Molecular Weight279.29 g/mol
Exact Mass279.06
IUPAC Name2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pent-4-enoic acid
SMILESC=CCC(C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H14FNO5S/c1-2-3-8(10(14)15)12-5-7(4-9(12)13)6-18(11,16)17/h2,7-8H,1,3-6H2,(H,14,15)
InChIKeyCQPZAZKNIFMKAV-UHFFFAOYSA-N
XLogP0.16
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pent-4-enoic acid
CID 168674663
2-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
CID 168674665
2-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylbutanoic acid
CID 168674697
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylbutanoic acid
CID 168674710
2-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid
CID 168674782
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid
CID 168674826
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
CID 168674854
(2R)-2-cyclohexa-1,4-dien-1-yl-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168674976
2-(4-Fluorosulfonyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid
CID 168713066
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid
CID 168713067
2-(4-Fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid
CID 168713101
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid
CID 168713114

Frequently Asked Questions

What is the IUPAC name of 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pent-4-enoic acid?
The IUPAC name of 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pent-4-enoic acid (CID 168674662) is 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pent-4-enoic acid.
What is the SMILES notation for 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pent-4-enoic acid?
The canonical SMILES for 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pent-4-enoic acid is C=CCC(C(=O)O)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pent-4-enoic acid?
The InChIKey is CQPZAZKNIFMKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO5S/c1-2-3-8(10(14)15)12-5-7(4-9(12)13)6-18(11,16)17/h2,7-8H,1,3-6H2,(H,14,15).
What are the key properties of 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pent-4-enoic acid?
2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pent-4-enoic acid has a molecular weight of 279.29 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pent-4-enoic acid is sourced from PubChem (CID 168674662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).