7-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)heptanoic acid

C11H18FNO5S — CID 168714799

IUPAC7-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)heptanoic acid
SMILESO=C(O)CCCCCCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C11H18FNO5S/c12-19(17,18)9-7-10(14)13(8-9)6-4-2-1-3-5-11(15)16/h9H,1-8H2,(H,15,16)
InChIKeyNKOWFULPLJUULL-UHFFFAOYSA-N
MW295.33 g/mol
LogP0.92
Rot. Bonds8

About 7-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)heptanoic acid

7-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)heptanoic acid (PubChem CID 168714799) has the molecular formula C11H18FNO5S and a molecular weight of 295.33 g/mol. Its IUPAC name is 7-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)heptanoic acid.

Molecular Properties

Compound Name7-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)heptanoic acid
PubChem CID168714799
Molecular FormulaC11H18FNO5S
Molecular Weight295.33 g/mol
Exact Mass295.09
IUPAC Name7-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)heptanoic acid
SMILESO=C(O)CCCCCCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C11H18FNO5S/c12-19(17,18)9-7-10(14)13(8-9)6-4-2-1-3-5-11(15)16/h9H,1-8H2,(H,15,16)
InChIKeyNKOWFULPLJUULL-UHFFFAOYSA-N
XLogP0.92
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714823
7-(2-oxo-4-sulfanylpyrrolidin-1-yl)heptanoic acid
CID 168709291
6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
CID 168663010
5-(4-amino-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168700114
7-(4-carbamoyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168697198
1-[3-[dimethoxy(methyl)silyl]propyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714021
1-[2-(2-hydroxyethoxy)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714855
(2S)-6-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 168713093
1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713837
7-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168694097
4-[4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)phenyl]butanoic acid
CID 168715999
1-[2-[di(propan-2-yl)amino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713569

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)heptanoic acid?
The IUPAC name of 7-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)heptanoic acid (CID 168714799) is 7-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)heptanoic acid.
What is the SMILES notation for 7-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)heptanoic acid?
The canonical SMILES for 7-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)heptanoic acid is O=C(O)CCCCCCN1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 7-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)heptanoic acid?
The InChIKey is NKOWFULPLJUULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO5S/c12-19(17,18)9-7-10(14)13(8-9)6-4-2-1-3-5-11(15)16/h9H,1-8H2,(H,15,16).
What are the key properties of 7-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)heptanoic acid?
7-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)heptanoic acid has a molecular weight of 295.33 g/mol, XLogP of 0.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)heptanoic acid is sourced from PubChem (CID 168714799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).