2,2-dimethyl-3-[[5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid

C16H21N3O6S — CID 119249569

IUPAC2,2-dimethyl-3-[[5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
SMILESCC(C)(CNC(=O)C1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)O
InChIInChI=1S/C16H21N3O6S/c1-16(2,15(22)23)9-18-14(21)10-6-13(20)19(8-10)11-4-3-5-12(7-11)26(17,24)25/h3-5,7,10H,6,8-9H2,1-2H3,(H,18,21)(H,22,23)(H2,17,24,25)
InChIKeyBPMGSEYEFHEKHR-UHFFFAOYSA-N
MW383.43 g/mol
LogP-0.09
Rot. Bonds6

About 2,2-dimethyl-3-[[5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid

2,2-dimethyl-3-[[5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid (PubChem CID 119249569) has the molecular formula C16H21N3O6S and a molecular weight of 383.43 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[[5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
PubChem CID119249569
Molecular FormulaC16H21N3O6S
Molecular Weight383.43 g/mol
Exact Mass383.12
IUPAC Name2,2-dimethyl-3-[[5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
SMILESCC(C)(CNC(=O)C1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)O
InChIInChI=1S/C16H21N3O6S/c1-16(2,15(22)23)9-18-14(21)10-6-13(20)19(8-10)11-4-3-5-12(7-11)26(17,24)25/h3-5,7,10H,6,8-9H2,1-2H3,(H,18,21)(H,22,23)(H2,17,24,25)
InChIKeyBPMGSEYEFHEKHR-UHFFFAOYSA-N
XLogP-0.09
TPSA146.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-3-[[5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

N-[3-(methylamino)propyl]-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119429878
3-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249485
5-oxo-N-(2-piperazin-1-ylethyl)-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 119445191
3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249977
(3R)-N-[2,2-dimethyl-3-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40736715
N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119565139
1-(3-methoxyphenyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 42652015
N-(2-methylpiperidin-4-yl)-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120599023
(3R)-5-oxo-1-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 9350652
(3R)-1-(4-ethylphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 9412974
3-[(4S)-4-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
CID 125119424
3-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
CID 119409588

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[[5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid (CID 119249569) is 2,2-dimethyl-3-[[5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[[5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[[5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid is CC(C)(CNC(=O)C1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[[5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
The InChIKey is BPMGSEYEFHEKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O6S/c1-16(2,15(22)23)9-18-14(21)10-6-13(20)19(8-10)11-4-3-5-12(7-11)26(17,24)25/h3-5,7,10H,6,8-9H2,1-2H3,(H,18,21)(H,22,23)(H2,17,24,25).
What are the key properties of 2,2-dimethyl-3-[[5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
2,2-dimethyl-3-[[5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid has a molecular weight of 383.43 g/mol, XLogP of -0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119249569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).