1-(tert-butylsulfamoyl)-4-methoxypyrrolidine-2-carboxylic acid

C10H20N2O5S — CID 114805391

IUPAC1-(tert-butylsulfamoyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(S(=O)(=O)NC(C)(C)C)C1
InChIInChI=1S/C10H20N2O5S/c1-10(2,3)11-18(15,16)12-6-7(17-4)5-8(12)9(13)14/h7-8,11H,5-6H2,1-4H3,(H,13,14)
InChIKeyMAZPYWJSCJHATD-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.21
Rot. Bonds4

About 1-(tert-butylsulfamoyl)-4-methoxypyrrolidine-2-carboxylic acid

1-(tert-butylsulfamoyl)-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 114805391) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-(tert-butylsulfamoyl)-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(tert-butylsulfamoyl)-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID114805391
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name1-(tert-butylsulfamoyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(S(=O)(=O)NC(C)(C)C)C1
InChIInChI=1S/C10H20N2O5S/c1-10(2,3)11-18(15,16)12-6-7(17-4)5-8(12)9(13)14/h7-8,11H,5-6H2,1-4H3,(H,13,14)
InChIKeyMAZPYWJSCJHATD-UHFFFAOYSA-N
XLogP-0.21
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 114462039
1-cyclopentylsulfonyl-4-methoxypyrrolidine-2-carboxylic acid
CID 105360699
4-methoxy-1-[methyl(propan-2-yl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 54947196
(2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid
CID 104977959
4-methoxy-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine-2-carboxylic acid
CID 83068024
4-methoxy-1-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid
CID 43210342
1-(1,1-dioxothian-4-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid
CID 62085649
4-methoxy-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 114174500
(2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 66986168
4-methoxy-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 43099011
ethane;(2S,4S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 171535084
1-(2,5-dibromothiophen-3-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid
CID 43361551

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylsulfamoyl)-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(tert-butylsulfamoyl)-4-methoxypyrrolidine-2-carboxylic acid (CID 114805391) is 1-(tert-butylsulfamoyl)-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(tert-butylsulfamoyl)-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(tert-butylsulfamoyl)-4-methoxypyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(S(=O)(=O)NC(C)(C)C)C1.
What is the InChIKey of 1-(tert-butylsulfamoyl)-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is MAZPYWJSCJHATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-10(2,3)11-18(15,16)12-6-7(17-4)5-8(12)9(13)14/h7-8,11H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 1-(tert-butylsulfamoyl)-4-methoxypyrrolidine-2-carboxylic acid?
1-(tert-butylsulfamoyl)-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 280.35 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylsulfamoyl)-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114805391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).