2-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid

C11H20N2O5S — CID 64642274

IUPAC2-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCC(CS(C)(=O)=O)NC(=O)N1CCCC1(C)C(=O)O
InChIInChI=1S/C11H20N2O5S/c1-8(7-19(3,17)18)12-10(16)13-6-4-5-11(13,2)9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyNLNVTTSUDVUKMW-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.07
Rot. Bonds4

About 2-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid

2-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 64642274) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID64642274
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name2-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCC(CS(C)(=O)=O)NC(=O)N1CCCC1(C)C(=O)O
InChIInChI=1S/C11H20N2O5S/c1-8(7-19(3,17)18)12-10(16)13-6-4-5-11(13,2)9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyNLNVTTSUDVUKMW-UHFFFAOYSA-N
XLogP0.07
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 113472972
3-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 64643431
2-methyl-1-(4-methylhexan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104598318
3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide
CID 71868248
N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115626187
2-methyl-1-(3-methylpentan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104598027
1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 103112626
N-(1-methylsulfonylpropan-2-yl)piperidine-1-carboxamide
CID 115626185
2-methyl-1-[methyl(2-methylsulfonylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79863871
2-methyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 104597937
2-methyl-1-(2,3,3-trimethylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83144196
2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 103994653

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 64642274) is 2-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid is CC(CS(C)(=O)=O)NC(=O)N1CCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is NLNVTTSUDVUKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-8(7-19(3,17)18)12-10(16)13-6-4-5-11(13,2)9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
2-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64642274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).