3-ethyl-1-(2-methoxyethylsulfamoyl)pyrrolidine-3-carboxylic acid

C10H20N2O5S — CID 114814580

IUPAC3-ethyl-1-(2-methoxyethylsulfamoyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(S(=O)(=O)NCCOC)C1
InChIInChI=1S/C10H20N2O5S/c1-3-10(9(13)14)4-6-12(8-10)18(15,16)11-5-7-17-2/h11H,3-8H2,1-2H3,(H,13,14)
InChIKeyXOMJYEJRCBBPQX-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.35
Rot. Bonds7

About 3-ethyl-1-(2-methoxyethylsulfamoyl)pyrrolidine-3-carboxylic acid

3-ethyl-1-(2-methoxyethylsulfamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 114814580) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-ethyl-1-(2-methoxyethylsulfamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(2-methoxyethylsulfamoyl)pyrrolidine-3-carboxylic acid
PubChem CID114814580
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name3-ethyl-1-(2-methoxyethylsulfamoyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(S(=O)(=O)NCCOC)C1
InChIInChI=1S/C10H20N2O5S/c1-3-10(9(13)14)4-6-12(8-10)18(15,16)11-5-7-17-2/h11H,3-8H2,1-2H3,(H,13,14)
InChIKeyXOMJYEJRCBBPQX-UHFFFAOYSA-N
XLogP-0.35
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-ethyl-1-(2-methoxyethylsulfamoyl)pyrrolidine-3-carboxylic 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-ethyl-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 114814574
4-ethyl-1-(2-methoxyethylsulfonyl)piperidine-4-carboxylic acid
CID 63125575
3-ethyl-1-(2-methoxyethylsulfonyl)piperidine-3-carboxylic acid
CID 63136190
3-ethyl-1-(4-methoxy-4-oxobutyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63149366
1-ethylsulfonyl-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 136548750
N-(2-methoxyethyl)azetidine-1-sulfonamide
CID 164583733
1-butylsulfonyl-3-ethylpyrrolidine-3-carboxylic acid
CID 63149529
1-(ethoxycarbonylsulfamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 114462628
4-ethyl-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-4-carboxylic acid
CID 63125441
N-(2-methoxyethyl)-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide
CID 114815935
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646
4-ethyl-1-(4-methoxybutylcarbamoyl)piperidine-4-carboxylic acid
CID 63127376

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methoxyethylsulfamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(2-methoxyethylsulfamoyl)pyrrolidine-3-carboxylic acid (CID 114814580) is 3-ethyl-1-(2-methoxyethylsulfamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(2-methoxyethylsulfamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(2-methoxyethylsulfamoyl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(S(=O)(=O)NCCOC)C1.
What is the InChIKey of 3-ethyl-1-(2-methoxyethylsulfamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is XOMJYEJRCBBPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-3-10(9(13)14)4-6-12(8-10)18(15,16)11-5-7-17-2/h11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-ethyl-1-(2-methoxyethylsulfamoyl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(2-methoxyethylsulfamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 280.35 g/mol, XLogP of -0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methoxyethylsulfamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114814580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).