ethyl 2-[methyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]acetate

C11H20N2O5S — CID 55003930

IUPACethyl 2-[methyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C11H20N2O5S/c1-4-18-10(14)8-12(2)11(15)9-6-5-7-13(9)19(3,16)17/h9H,4-8H2,1-3H3
InChIKeyMTSXMOIWQSAKPR-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.57
Rot. Bonds5

About ethyl 2-[methyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]acetate

ethyl 2-[methyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]acetate (PubChem CID 55003930) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is ethyl 2-[methyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]acetate
PubChem CID55003930
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Nameethyl 2-[methyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C11H20N2O5S/c1-4-18-10(14)8-12(2)11(15)9-6-5-7-13(9)19(3,16)17/h9H,4-8H2,1-3H3
InChIKeyMTSXMOIWQSAKPR-UHFFFAOYSA-N
XLogP-0.57
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[methyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]acetate 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

N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 56861416
N-(3-hydroxypropyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 114230556
(2S)-1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 54969312
4-[[methyl-[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 125148660
2-[ethyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 62817339
ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]acetate
CID 79601174
ethyl 2-[(1-acetylpiperidine-4-carbonyl)-methylamino]acetate
CID 55003374
4-[methyl-(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoic acid
CID 43360144
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55429285
ethyl 2-[ethyl-(1-methylsulfonylpiperidine-4-carbonyl)amino]acetate
CID 61012248
N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide
CID 47021840
N-methyl-1-methylsulfonyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 70708816

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]acetate (CID 55003930) is ethyl 2-[methyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]acetate is CCOC(=O)CN(C)C(=O)C1CCCN1S(C)(=O)=O.
What is the InChIKey of ethyl 2-[methyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]acetate?
The InChIKey is MTSXMOIWQSAKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-4-18-10(14)8-12(2)11(15)9-6-5-7-13(9)19(3,16)17/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 2-[methyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]acetate?
ethyl 2-[methyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]acetate has a molecular weight of 292.36 g/mol, XLogP of -0.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]acetate is sourced from PubChem (CID 55003930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).