4-methyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3-carboxylic acid

C11H21NO4S — CID 106727543

IUPAC4-methyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3-carboxylic acid
SMILESCC1CN(CCS(=O)(=O)C(C)C)CC1C(=O)O
InChIInChI=1S/C11H21NO4S/c1-8(2)17(15,16)5-4-12-6-9(3)10(7-12)11(13)14/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyMFTMREQVZOVNLF-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.46
Rot. Bonds5

About 4-methyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3-carboxylic acid

4-methyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3-carboxylic acid (PubChem CID 106727543) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-methyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3-carboxylic acid
PubChem CID106727543
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name4-methyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3-carboxylic acid
SMILESCC1CN(CCS(=O)(=O)C(C)C)CC1C(=O)O
InChIInChI=1S/C11H21NO4S/c1-8(2)17(15,16)5-4-12-6-9(3)10(7-12)11(13)14/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyMFTMREQVZOVNLF-UHFFFAOYSA-N
XLogP0.46
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-propan-2-ylsulfonylethyl)piperidine-3,4-dicarboxylic acid
CID 106727684
(3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol
CID 103738839
1-(2-propan-2-ylsulfonylethyl)piperidine-3-carboxylic acid
CID 104835427
1-(3-hydroxy-3-methylbutyl)-4-methylpyrrolidine-3-carboxylic acid
CID 79356228
4-methyl-1-(4-methylsulfanylbutyl)pyrrolidine-3-carboxylic acid
CID 103090440
1-[2-(4-bromophenyl)sulfonylethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720539
1-(2-chloroprop-2-enyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720909
2-(2-propan-2-ylsulfonylethyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 106727569
3-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride
CID 119924370
1-[4-(dimethylamino)-4-oxobutyl]-4-methylpyrrolidine-3-carboxylic acid
CID 55226118
3-bromo-1-(2-propan-2-ylsulfonylethyl)pyrrolidine
CID 106731131
1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63987603

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3-carboxylic acid (CID 106727543) is 4-methyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3-carboxylic acid is CC1CN(CCS(=O)(=O)C(C)C)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is MFTMREQVZOVNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-8(2)17(15,16)5-4-12-6-9(3)10(7-12)11(13)14/h8-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 4-methyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3-carboxylic acid?
4-methyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 263.36 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106727543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).