1-[2-methoxyethyl(oxan-4-yl)sulfamoyl]pyrrolidine-2-carboxylic acid

C13H24N2O6S — CID 154780562

IUPAC1-[2-methoxyethyl(oxan-4-yl)sulfamoyl]pyrrolidine-2-carboxylic acid
SMILESCOCCN(C1CCOCC1)S(=O)(=O)N1CCCC1C(=O)O
InChIInChI=1S/C13H24N2O6S/c1-20-10-7-14(11-4-8-21-9-5-11)22(18,19)15-6-2-3-12(15)13(16)17/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyIBDXXRZCXWZXHQ-UHFFFAOYSA-N
MW336.41 g/mol
LogP-0.09
Rot. Bonds7

About 1-[2-methoxyethyl(oxan-4-yl)sulfamoyl]pyrrolidine-2-carboxylic acid

1-[2-methoxyethyl(oxan-4-yl)sulfamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 154780562) has the molecular formula C13H24N2O6S and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-[2-methoxyethyl(oxan-4-yl)sulfamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-methoxyethyl(oxan-4-yl)sulfamoyl]pyrrolidine-2-carboxylic acid
PubChem CID154780562
Molecular FormulaC13H24N2O6S
Molecular Weight336.41 g/mol
Exact Mass336.14
IUPAC Name1-[2-methoxyethyl(oxan-4-yl)sulfamoyl]pyrrolidine-2-carboxylic acid
SMILESCOCCN(C1CCOCC1)S(=O)(=O)N1CCCC1C(=O)O
InChIInChI=1S/C13H24N2O6S/c1-20-10-7-14(11-4-8-21-9-5-11)22(18,19)15-6-2-3-12(15)13(16)17/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyIBDXXRZCXWZXHQ-UHFFFAOYSA-N
XLogP-0.09
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[methyl(oxan-4-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 60858619
1-[cyclopropyl(ethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859892
(2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 78923008
(2R)-1-[3-[[3-[(2R)-2-carboxypyrrolidin-1-yl]-3-oxopropyl]-(2-methoxyethyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54367996
1-(3-methoxy-2-methylpropyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122068683
2-[2-methoxyethyl(oxolan-3-yl)amino]acetic acid
CID 63563211
1-(oxan-4-ylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 63711167
1-(dimethylsulfamoyl)azepane-2-carboxylic acid
CID 64561301
(2S)-1-(2-methoxy-2-oxoethyl)sulfonylpyrrolidine-2-carboxylic acid
CID 61359148
2-amino-N-(2-methoxyethyl)-N-(oxan-4-yl)acetamide
CID 121203582
1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443
2-[cyclopropyl(2-methoxyethyl)sulfamoyl]propanoic acid
CID 61457985

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl(oxan-4-yl)sulfamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-methoxyethyl(oxan-4-yl)sulfamoyl]pyrrolidine-2-carboxylic acid (CID 154780562) is 1-[2-methoxyethyl(oxan-4-yl)sulfamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-methoxyethyl(oxan-4-yl)sulfamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-methoxyethyl(oxan-4-yl)sulfamoyl]pyrrolidine-2-carboxylic acid is COCCN(C1CCOCC1)S(=O)(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[2-methoxyethyl(oxan-4-yl)sulfamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is IBDXXRZCXWZXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O6S/c1-20-10-7-14(11-4-8-21-9-5-11)22(18,19)15-6-2-3-12(15)13(16)17/h11-12H,2-10H2,1H3,(H,16,17).
What are the key properties of 1-[2-methoxyethyl(oxan-4-yl)sulfamoyl]pyrrolidine-2-carboxylic acid?
1-[2-methoxyethyl(oxan-4-yl)sulfamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 336.41 g/mol, XLogP of -0.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl(oxan-4-yl)sulfamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 154780562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).