2-[methyl(methylsulfonyl)amino]pyrrolidine-1-carboxylic acid

C7H14N2O4S — CID 69106665

IUPAC2-[methyl(methylsulfonyl)amino]pyrrolidine-1-carboxylic acid
SMILESCN(C1CCCN1C(=O)O)S(C)(=O)=O
InChIInChI=1S/C7H14N2O4S/c1-8(14(2,12)13)6-4-3-5-9(6)7(10)11/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyZSWNXLZYASVDFI-UHFFFAOYSA-N
MW222.27 g/mol
LogP-0.02
Rot. Bonds2

About 2-[methyl(methylsulfonyl)amino]pyrrolidine-1-carboxylic acid

2-[methyl(methylsulfonyl)amino]pyrrolidine-1-carboxylic acid (PubChem CID 69106665) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]pyrrolidine-1-carboxylic acid
PubChem CID69106665
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name2-[methyl(methylsulfonyl)amino]pyrrolidine-1-carboxylic acid
SMILESCN(C1CCCN1C(=O)O)S(C)(=O)=O
InChIInChI=1S/C7H14N2O4S/c1-8(14(2,12)13)6-4-3-5-9(6)7(10)11/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyZSWNXLZYASVDFI-UHFFFAOYSA-N
XLogP-0.02
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]pyrrolidine-1-carboxylic acid (CID 69106665) is 2-[methyl(methylsulfonyl)amino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]pyrrolidine-1-carboxylic acid is CN(C1CCCN1C(=O)O)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]pyrrolidine-1-carboxylic acid?
The InChIKey is ZSWNXLZYASVDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-8(14(2,12)13)6-4-3-5-9(6)7(10)11/h6H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-[methyl(methylsulfonyl)amino]pyrrolidine-1-carboxylic acid?
2-[methyl(methylsulfonyl)amino]pyrrolidine-1-carboxylic acid has a molecular weight of 222.27 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 69106665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).