4-[2-fluoro-3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]-2,2-dimethylpyrrolidine-1-carboxylic acid

C15H23FN4O4S — CID 139389260

IUPAC4-[2-fluoro-3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]-2,2-dimethylpyrrolidine-1-carboxylic acid
SMILESCC1(C)CC(CC(F)CNc2cccc(S(N)(=O)=O)n2)CN1C(=O)O
InChIInChI=1S/C15H23FN4O4S/c1-15(2)7-10(9-20(15)14(21)22)6-11(16)8-18-12-4-3-5-13(19-12)25(17,23)24/h3-5,10-11H,6-9H2,1-2H3,(H,18,19)(H,21,22)(H2,17,23,24)
InChIKeyNZZMWMCIMAMCJQ-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.65
Rot. Bonds6

About 4-[2-fluoro-3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]-2,2-dimethylpyrrolidine-1-carboxylic acid

4-[2-fluoro-3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]-2,2-dimethylpyrrolidine-1-carboxylic acid (PubChem CID 139389260) has the molecular formula C15H23FN4O4S and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-[2-fluoro-3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]-2,2-dimethylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-fluoro-3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]-2,2-dimethylpyrrolidine-1-carboxylic acid
PubChem CID139389260
Molecular FormulaC15H23FN4O4S
Molecular Weight374.44 g/mol
Exact Mass374.14
IUPAC Name4-[2-fluoro-3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]-2,2-dimethylpyrrolidine-1-carboxylic acid
SMILESCC1(C)CC(CC(F)CNc2cccc(S(N)(=O)=O)n2)CN1C(=O)O
InChIInChI=1S/C15H23FN4O4S/c1-15(2)7-10(9-20(15)14(21)22)6-11(16)8-18-12-4-3-5-13(19-12)25(17,23)24/h3-5,10-11H,6-9H2,1-2H3,(H,18,19)(H,21,22)(H2,17,23,24)
InChIKeyNZZMWMCIMAMCJQ-UHFFFAOYSA-N
XLogP1.65
TPSA125.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylic acid
CID 139389304
tert-butyl (4S)-2,2-dimethyl-4-[2-[(6-sulfamoyl-2-pyridinyl)amino]ethyl]pyrrolidine-1-carboxylate
CID 139416333
(4S)-2,2-dimethyl-4-[4-(6-sulfamoyl-2-pyridinyl)butyl]pyrrolidine-1-carboxylic acid
CID 139416595
tert-butyl (4S)-4-(2-amino-2-phenylethyl)-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[2-phenyl-2-[(6-sulfamoyl-2-pyridinyl)amino]ethyl]pyrrolidine-1-carboxylate;6-fluoropyridine-2-sulfonamide
CID 167569004
(5S)-2,2-dimethyl-5-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylic acid
CID 139416373
2,2-dimethyl-5-[4-[(6-sulfamoyl-2-pyridinyl)amino]butyl]pyrrolidine-1-carboxylic acid
CID 139389357
tert-butyl 4-(4-aminobutyl)-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl 2,2-dimethyl-4-[4-[(6-sulfamoyl-2-pyridinyl)amino]butyl]pyrrolidine-1-carboxylate;6-fluoropyridine-2-sulfonamide
CID 158303204
tert-butyl (4S)-4-[3-[[6-[(6-tert-butyl-2-fluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-(6-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-[3-(6-tert-butyl-2-pyridinyl)-3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]-2,2-dimethylpyrrolidine-1-carboxylate;6-tert-butyl-2-fluoropyridine-3-carboxylic acid
CID 167693966
2,2-dimethyl-4-[5-(6-sulfamoyl-3-pyridinyl)pent-4-ynyl]pyrrolidine-1-carboxylic acid
CID 139389546
3-(3,3-dimethylcyclopentyl)propan-1-amine;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonamide
CID 158173314
2,2-dimethyl-4-[4-(4-sulfamoylphenoxy)butyl]pyrrolidine-1-carboxylic acid
CID 139389459
tert-butyl (4S)-4-[3-(4-tert-butyl-2-pyridinyl)-3-[[6-[(2-chloro-8-methylquinoline-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-[3-(4-tert-butyl-2-pyridinyl)-3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]-2,2-dimethylpyrrolidine-1-carboxylate;2-chloro-8-methylquinoline-3-carboxylic acid
CID 167564357

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]-2,2-dimethylpyrrolidine-1-carboxylic acid?
The IUPAC name of 4-[2-fluoro-3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]-2,2-dimethylpyrrolidine-1-carboxylic acid (CID 139389260) is 4-[2-fluoro-3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]-2,2-dimethylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-fluoro-3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]-2,2-dimethylpyrrolidine-1-carboxylic acid?
The canonical SMILES for 4-[2-fluoro-3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]-2,2-dimethylpyrrolidine-1-carboxylic acid is CC1(C)CC(CC(F)CNc2cccc(S(N)(=O)=O)n2)CN1C(=O)O.
What is the InChIKey of 4-[2-fluoro-3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]-2,2-dimethylpyrrolidine-1-carboxylic acid?
The InChIKey is NZZMWMCIMAMCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O4S/c1-15(2)7-10(9-20(15)14(21)22)6-11(16)8-18-12-4-3-5-13(19-12)25(17,23)24/h3-5,10-11H,6-9H2,1-2H3,(H,18,19)(H,21,22)(H2,17,23,24).
What are the key properties of 4-[2-fluoro-3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]-2,2-dimethylpyrrolidine-1-carboxylic acid?
4-[2-fluoro-3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]-2,2-dimethylpyrrolidine-1-carboxylic acid has a molecular weight of 374.44 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]-2,2-dimethylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 139389260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).