(2R)-1-(2-methyl-2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylic acid

C10H17NO5S — CID 78955972

IUPAC(2R)-1-(2-methyl-2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(C(=O)N1CCC[C@@H]1C(=O)O)S(C)(=O)=O
InChIInChI=1S/C10H17NO5S/c1-10(2,17(3,15)16)9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m1/s1
InChIKeyGLCOUBVIKRMRNV-SSDOTTSWSA-N
MW263.31 g/mol
LogP-0.11
Rot. Bonds3

About (2R)-1-(2-methyl-2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylic acid

(2R)-1-(2-methyl-2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 78955972) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is (2R)-1-(2-methyl-2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-methyl-2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID78955972
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name(2R)-1-(2-methyl-2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(C(=O)N1CCC[C@@H]1C(=O)O)S(C)(=O)=O
InChIInChI=1S/C10H17NO5S/c1-10(2,17(3,15)16)9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m1/s1
InChIKeyGLCOUBVIKRMRNV-SSDOTTSWSA-N
XLogP-0.11
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(2-methyl-2-methylsulfonylpropanoyl)piperidine-2-carboxylic acid
CID 114421327
1-(2-methyl-2-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 82042127
4-(2-methyl-2-methylsulfonylpropanoyl)thiomorpholine-3-carboxylic acid
CID 82901563
1-(2-amino-2-cyclopropylpropanoyl)pyrrolidine-2-carboxylic acid
CID 61157679
(2S)-1-(3-amino-2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid
CID 115426587
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 87975279
1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one
CID 79544455
(2S)-1-(3-amino-2,2,3-trimethylbutanoyl)piperidine-2-carboxylic acid
CID 66263390
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
CID 10861156
1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;propane
CID 144591642
1-(2,2-dimethylbutanoyl)azepane-2-carboxylic acid
CID 64559553
(2S)-1-(2,2-dimethylpropanoyl)azetidine-2-carboxylic acid
CID 130184716

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methyl-2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-methyl-2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylic acid (CID 78955972) is (2R)-1-(2-methyl-2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-methyl-2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-methyl-2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylic acid is CC(C)(C(=O)N1CCC[C@@H]1C(=O)O)S(C)(=O)=O.
What is the InChIKey of (2R)-1-(2-methyl-2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is GLCOUBVIKRMRNV-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-10(2,17(3,15)16)9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-1-(2-methyl-2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(2-methyl-2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 263.31 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methyl-2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78955972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).