(2S)-1-(2-methoxy-3-phenylpropyl)sulfonylpyrrolidine-2-carboxylic acid

C15H21NO5S — CID 122103401

IUPAC(2S)-1-(2-methoxy-3-phenylpropyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCOC(Cc1ccccc1)CS(=O)(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C15H21NO5S/c1-21-13(10-12-6-3-2-4-7-12)11-22(19,20)16-9-5-8-14(16)15(17)18/h2-4,6-7,13-14H,5,8-11H2,1H3,(H,17,18)/t13?,14-/m0/s1
InChIKeyJUFMAGXGIGWNFT-KZUDCZAMSA-N
MW327.40 g/mol
LogP1.12
Rot. Bonds7

About (2S)-1-(2-methoxy-3-phenylpropyl)sulfonylpyrrolidine-2-carboxylic acid

(2S)-1-(2-methoxy-3-phenylpropyl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 122103401) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is (2S)-1-(2-methoxy-3-phenylpropyl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-methoxy-3-phenylpropyl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID122103401
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Name(2S)-1-(2-methoxy-3-phenylpropyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCOC(Cc1ccccc1)CS(=O)(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C15H21NO5S/c1-21-13(10-12-6-3-2-4-7-12)11-22(19,20)16-9-5-8-14(16)15(17)18/h2-4,6-7,13-14H,5,8-11H2,1H3,(H,17,18)/t13?,14-/m0/s1
InChIKeyJUFMAGXGIGWNFT-KZUDCZAMSA-N
XLogP1.12
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2-methoxy-3-phenylpropyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122103397
(2S)-1-benzylsulfonylpyrrolidine-2-carboxylic acid
CID 10199278
1-(2-methoxypropylsulfonyl)piperidine-2-carboxylic acid
CID 122070213
1-(3-methoxy-2-methylpropyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122068683
methyl 1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxylate
CID 43624427
2-methoxy-3-phenylpropane-1-sulfonyl chloride
CID 115046417
(2S)-1-(2-methoxy-2-oxoethyl)sulfonylpyrrolidine-2-carboxylic acid
CID 61359148
3-phenyl-2-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 119165885
(2S,3S)-1-(2-methoxy-4-methylpentyl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122104711
1-[(2R)-2-(hexadecylsulfonylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 67652819
2-[(1-butylsulfonylpyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 18509091
1-[(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 67652168

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methoxy-3-phenylpropyl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-methoxy-3-phenylpropyl)sulfonylpyrrolidine-2-carboxylic acid (CID 122103401) is (2S)-1-(2-methoxy-3-phenylpropyl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-methoxy-3-phenylpropyl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-methoxy-3-phenylpropyl)sulfonylpyrrolidine-2-carboxylic acid is COC(Cc1ccccc1)CS(=O)(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(2-methoxy-3-phenylpropyl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is JUFMAGXGIGWNFT-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H21NO5S/c1-21-13(10-12-6-3-2-4-7-12)11-22(19,20)16-9-5-8-14(16)15(17)18/h2-4,6-7,13-14H,5,8-11H2,1H3,(H,17,18)/t13?,14-/m0/s1.
What are the key properties of (2S)-1-(2-methoxy-3-phenylpropyl)sulfonylpyrrolidine-2-carboxylic acid?
(2S)-1-(2-methoxy-3-phenylpropyl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 327.40 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methoxy-3-phenylpropyl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122103401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).