6-amino-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid

C11H19FN2O5S — CID 168674969

IUPAC6-amino-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
SMILESNCCCCC(C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H19FN2O5S/c12-20(18,19)7-8-5-10(15)14(6-8)9(11(16)17)3-1-2-4-13/h8-9H,1-7,13H2,(H,16,17)
InChIKeyJVOJWBULUSVNPW-UHFFFAOYSA-N
MW310.35 g/mol
LogP-0.28
Rot. Bonds8

About 6-amino-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid

6-amino-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid (PubChem CID 168674969) has the molecular formula C11H19FN2O5S and a molecular weight of 310.35 g/mol. Its IUPAC name is 6-amino-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid.

Molecular Properties

Compound Name6-amino-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
PubChem CID168674969
Molecular FormulaC11H19FN2O5S
Molecular Weight310.35 g/mol
Exact Mass310.10
IUPAC Name6-amino-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
SMILESNCCCCC(C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H19FN2O5S/c12-20(18,19)7-8-5-10(15)14(6-8)9(11(16)17)3-1-2-4-13/h8-9H,1-7,13H2,(H,16,17)
InChIKeyJVOJWBULUSVNPW-UHFFFAOYSA-N
XLogP-0.28
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanedioic acid
CID 168675018
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
CID 168674814
(2S)-5-(diaminomethylideneamino)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
CID 168674989
2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxypropanoic acid
CID 168674925
(2R)-3-(carboxymethylsulfanyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
CID 168674998
1-(5-amino-1-carboxypentyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690337
2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]octanoic acid
CID 168680298
3-(4-chlorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
CID 168674932
(2S)-3-(4-fluorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
CID 168675004
3-(4-fluorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
CID 168674933
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 168674669
2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-(4-iodophenyl)propanoic acid
CID 168674934

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid?
The IUPAC name of 6-amino-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid (CID 168674969) is 6-amino-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid.
What is the SMILES notation for 6-amino-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid?
The canonical SMILES for 6-amino-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid is NCCCCC(C(=O)O)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of 6-amino-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid?
The InChIKey is JVOJWBULUSVNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O5S/c12-20(18,19)7-8-5-10(15)14(6-8)9(11(16)17)3-1-2-4-13/h8-9H,1-7,13H2,(H,16,17).
What are the key properties of 6-amino-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid?
6-amino-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid has a molecular weight of 310.35 g/mol, XLogP of -0.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid is sourced from PubChem (CID 168674969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).