(2R,4R)-2-methyl-4-methylsulfanylpyrrolidine-1-carboxylic acid

C7H13NO2S — CID 56609437

IUPAC(2R,4R)-2-methyl-4-methylsulfanylpyrrolidine-1-carboxylic acid
SMILESCS[C@@H]1C[C@@H](C)N(C(=O)O)C1
InChIInChI=1S/C7H13NO2S/c1-5-3-6(11-2)4-8(5)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6-/m1/s1
InChIKeyQSJOIGZEEHHMQN-PHDIDXHHSA-N
MW175.25 g/mol
LogP1.49
Rot. Bonds1

About (2R,4R)-2-methyl-4-methylsulfanylpyrrolidine-1-carboxylic acid

(2R,4R)-2-methyl-4-methylsulfanylpyrrolidine-1-carboxylic acid (PubChem CID 56609437) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is (2R,4R)-2-methyl-4-methylsulfanylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-methyl-4-methylsulfanylpyrrolidine-1-carboxylic acid
PubChem CID56609437
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name(2R,4R)-2-methyl-4-methylsulfanylpyrrolidine-1-carboxylic acid
SMILESCS[C@@H]1C[C@@H](C)N(C(=O)O)C1
InChIInChI=1S/C7H13NO2S/c1-5-3-6(11-2)4-8(5)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6-/m1/s1
InChIKeyQSJOIGZEEHHMQN-PHDIDXHHSA-N
XLogP1.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Acetylsulfanylpyrrolidine-1-carboxylic acid
CID 18425825
2-Ethyl-1,3-thiazolidine-3-carboxylic acid
CID 21162291
(8R)-8-methyl-1,4-dithia-7-azaspiro[4.4]nonane-7-carboxylic acid
CID 56609160
(2R)-1-(3-acetylsulfanylpentanethioyl)-2-methylpyrrolidin-1-ium-1-carboxylic acid
CID 57170374
4-Methyl-1,3-thiazolidine-3-carboxylic acid
CID 57260668
(2R)-2-methyl-4-methylsulfanylpyrrolidine-1-carboxylic acid
CID 57285215
2,2,4-Trimethyl-1,3-thiazolidine-3-carboxylic acid
CID 68816778
(3R)-3-acetylsulfanylpyrrolidine-1-carboxylic acid
CID 87449914
2-Thia-5-azabicyclo[2.2.1]heptane-5-carboxylic acid
CID 89886319
(1S,4S)-2-thia-5-azabicyclo[2.2.1]heptane-5-carboxylic acid
CID 126601340
(2S)-2-(2-acetylsulfanylethyl)pyrrolidine-1-carboxylic acid
CID 134325313
2-(2-Acetylsulfanylethyl)pyrrolidine-1-carboxylic acid
CID 134325317

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-methyl-4-methylsulfanylpyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,4R)-2-methyl-4-methylsulfanylpyrrolidine-1-carboxylic acid (CID 56609437) is (2R,4R)-2-methyl-4-methylsulfanylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-methyl-4-methylsulfanylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,4R)-2-methyl-4-methylsulfanylpyrrolidine-1-carboxylic acid is CS[C@@H]1C[C@@H](C)N(C(=O)O)C1.
What is the InChIKey of (2R,4R)-2-methyl-4-methylsulfanylpyrrolidine-1-carboxylic acid?
The InChIKey is QSJOIGZEEHHMQN-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-5-3-6(11-2)4-8(5)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6-/m1/s1.
What are the key properties of (2R,4R)-2-methyl-4-methylsulfanylpyrrolidine-1-carboxylic acid?
(2R,4R)-2-methyl-4-methylsulfanylpyrrolidine-1-carboxylic acid has a molecular weight of 175.25 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-methyl-4-methylsulfanylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 56609437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).