3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid

C9H18N2O4S — CID 104972503

IUPAC3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)NCC[C@H]1CCCN1
InChIInChI=1S/C9H18N2O4S/c12-9(13)4-7-16(14,15)11-6-3-8-2-1-5-10-8/h8,10-11H,1-7H2,(H,12,13)/t8-/m1/s1
InChIKeyQJIPQTRDZHPRHG-MRVPVSSYSA-N
MW250.32 g/mol
LogP-0.48
Rot. Bonds7

About 3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid

3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid (PubChem CID 104972503) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid
PubChem CID104972503
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)NCC[C@H]1CCCN1
InChIInChI=1S/C9H18N2O4S/c12-9(13)4-7-16(14,15)11-6-3-8-2-1-5-10-8/h8,10-11H,1-7H2,(H,12,13)/t8-/m1/s1
InChIKeyQJIPQTRDZHPRHG-MRVPVSSYSA-N
XLogP-0.48
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[(2S)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid
CID 104972731
2-(2-pyrrolidin-2-ylethylsulfamoyl)acetic acid
CID 114794124
2-methylsulfonyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]ethanesulfonamide;hydrochloride
CID 120723401
N-(2-piperidin-2-ylethyl)propane-1-sulfonamide
CID 24703797
N-propyl-2-pyrrolidin-2-ylethanesulfonamide
CID 115071362
3-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propane-1-sulfonamide
CID 104972385
1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972512
(2S)-2-[2-(sulfamoylamino)ethyl]pyrrolidine
CID 104985745
2-ethoxy-N-(2-piperidin-2-ylethyl)ethanesulfonamide
CID 63245561
N-cyclopropyl-4-(2-piperidin-2-ylethylsulfonylamino)butanamide
CID 79381999
N-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide
CID 60863842
3-(azepan-2-yl)propanoic acid
CID 69475849

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid?
The IUPAC name of 3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid (CID 104972503) is 3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid is O=C(O)CCS(=O)(=O)NCC[C@H]1CCCN1.
What is the InChIKey of 3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid?
The InChIKey is QJIPQTRDZHPRHG-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c12-9(13)4-7-16(14,15)11-6-3-8-2-1-5-10-8/h8,10-11H,1-7H2,(H,12,13)/t8-/m1/s1.
What are the key properties of 3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid?
3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid has a molecular weight of 250.32 g/mol, XLogP of -0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid is sourced from PubChem (CID 104972503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).