(2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanedioic acid

C11H16FNO7S — CID 168675018

IUPAC(2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanedioic acid
SMILESO=C(O)CCC[C@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H16FNO7S/c12-21(19,20)6-7-4-9(14)13(5-7)8(11(17)18)2-1-3-10(15)16/h7-8H,1-6H2,(H,15,16)(H,17,18)/t7?,8-/m1/s1
InChIKeyDZNVUWDDXDRHJZ-BRFYHDHCSA-N
MW325.31 g/mol
LogP-0.16
Rot. Bonds8

About (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanedioic acid

(2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanedioic acid (PubChem CID 168675018) has the molecular formula C11H16FNO7S and a molecular weight of 325.31 g/mol. Its IUPAC name is (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanedioic acid
PubChem CID168675018
Molecular FormulaC11H16FNO7S
Molecular Weight325.31 g/mol
Exact Mass325.06
IUPAC Name(2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanedioic acid
SMILESO=C(O)CCC[C@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H16FNO7S/c12-21(19,20)6-7-4-9(14)13(5-7)8(11(17)18)2-1-3-10(15)16/h7-8H,1-6H2,(H,15,16)(H,17,18)/t7?,8-/m1/s1
InChIKeyDZNVUWDDXDRHJZ-BRFYHDHCSA-N
XLogP-0.16
TPSA129.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
CID 168674814
6-amino-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
CID 168674969
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
(2S)-5-(diaminomethylideneamino)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
CID 168674989
(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
(2R)-2-[4-(acetylsulfanylmethyl)-2-oxopyrrolidin-1-yl]hexanedioic acid
CID 168666180
(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
3-(4-chlorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
CID 168674932
(2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methyl-3-sulfanylbutanoic acid
CID 168674696

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanedioic acid?
The IUPAC name of (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanedioic acid (CID 168675018) is (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanedioic acid.
What is the SMILES notation for (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanedioic acid?
The canonical SMILES for (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanedioic acid is O=C(O)CCC[C@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanedioic acid?
The InChIKey is DZNVUWDDXDRHJZ-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H16FNO7S/c12-21(19,20)6-7-4-9(14)13(5-7)8(11(17)18)2-1-3-10(15)16/h7-8H,1-6H2,(H,15,16)(H,17,18)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanedioic acid?
(2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanedioic acid has a molecular weight of 325.31 g/mol, XLogP of -0.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanedioic acid is sourced from PubChem (CID 168675018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).