4-methoxy-1-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid

C10H18N2O6S — CID 43210342

IUPAC4-methoxy-1-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C10H18N2O6S/c1-17-8-6-9(10(13)14)12(7-8)19(15,16)11-2-4-18-5-3-11/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyAKSCKEKDSXSRQM-UHFFFAOYSA-N
MW294.33 g/mol
LogP-1.26
Rot. Bonds4

About 4-methoxy-1-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid

4-methoxy-1-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid (PubChem CID 43210342) has the molecular formula C10H18N2O6S and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-methoxy-1-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid
PubChem CID43210342
Molecular FormulaC10H18N2O6S
Molecular Weight294.33 g/mol
Exact Mass294.09
IUPAC Name4-methoxy-1-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C10H18N2O6S/c1-17-8-6-9(10(13)14)12(7-8)19(15,16)11-2-4-18-5-3-11/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyAKSCKEKDSXSRQM-UHFFFAOYSA-N
XLogP-1.26
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-4-hydroxy-1-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid
CID 28783706
4-methoxy-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 43099011
1-cyclopentylsulfonyl-4-methoxypyrrolidine-2-carboxylic acid
CID 105360699
4-methoxy-1-[methyl(propan-2-yl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 54947196
1-(tert-butylsulfamoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 114805391
4-methoxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 114462039
1-(1,1-dioxothian-4-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid
CID 62085649
(2S,4S)-4-hydroxy-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 64714429
(2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 66986168
2-methyl-3-morpholin-4-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 63780064
4-methoxy-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine-2-carboxylic acid
CID 83068024
1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 2235310

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid (CID 43210342) is 4-methoxy-1-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of 4-methoxy-1-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is AKSCKEKDSXSRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6S/c1-17-8-6-9(10(13)14)12(7-8)19(15,16)11-2-4-18-5-3-11/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of 4-methoxy-1-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid?
4-methoxy-1-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of -1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43210342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).