1-(2-methoxyethylsulfonyl)-3-methylpyrrolidine-2-carboxylic acid

C9H17NO5S — CID 104937263

IUPAC1-(2-methoxyethylsulfonyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCOCCS(=O)(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C9H17NO5S/c1-7-3-4-10(8(7)9(11)12)16(13,14)6-5-15-2/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyBWBIQBVYOSDDAW-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.24
Rot. Bonds5

About 1-(2-methoxyethylsulfonyl)-3-methylpyrrolidine-2-carboxylic acid

1-(2-methoxyethylsulfonyl)-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 104937263) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfonyl)-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethylsulfonyl)-3-methylpyrrolidine-2-carboxylic acid
PubChem CID104937263
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Name1-(2-methoxyethylsulfonyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCOCCS(=O)(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C9H17NO5S/c1-7-3-4-10(8(7)9(11)12)16(13,14)6-5-15-2/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyBWBIQBVYOSDDAW-UHFFFAOYSA-N
XLogP-0.24
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxyethylsulfonyl)-3-methylpyrrolidine-2-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-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 102776357
3-methyl-1-(2-methylpropylsulfonyl)pyrrolidine-2-carboxylic acid
CID 104937349
1-(2-methoxyethylsulfonyl)piperidine-3,4-dicarboxylic acid
CID 112562206
1-(3-ethoxy-3-oxopropyl)sulfonyl-3-methylpiperidine-2-carboxylic acid
CID 107070056
(2S,3S)-1-[2-(2-methoxyethoxy)ethylsulfonyl]-2-methylpiperidine-3-carboxylic acid
CID 122105158
(2S)-2-ethyl-1-(2-methoxyethylsulfonyl)azetidine
CID 174329540
1-(cyclopropylmethylsulfonyl)-3-methylpiperidine-2-carboxylic acid
CID 107070042
1-(azepan-1-ylsulfonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 104937258
tert-butyl (2S)-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxylate
CID 81004501
1-(ethoxycarbonylsulfamoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776352
1-[2-methoxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781990
3-methyl-1-(2-sulfamoylethyl)pyrrolidine-2-carboxylic acid
CID 102784116

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfonyl)-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-methoxyethylsulfonyl)-3-methylpyrrolidine-2-carboxylic acid (CID 104937263) is 1-(2-methoxyethylsulfonyl)-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethylsulfonyl)-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethylsulfonyl)-3-methylpyrrolidine-2-carboxylic acid is COCCS(=O)(=O)N1CCC(C)C1C(=O)O.
What is the InChIKey of 1-(2-methoxyethylsulfonyl)-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is BWBIQBVYOSDDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-7-3-4-10(8(7)9(11)12)16(13,14)6-5-15-2/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 1-(2-methoxyethylsulfonyl)-3-methylpyrrolidine-2-carboxylic acid?
1-(2-methoxyethylsulfonyl)-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 251.30 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfonyl)-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104937263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).