2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid

C11H20N2O6S — CID 61263229

IUPAC2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid
SMILESCCOC(=O)C1CCCN1S(=O)(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O6S/c1-4-19-9(14)8-6-5-7-13(8)20(17,18)12-11(2,3)10(15)16/h8,12H,4-7H2,1-3H3,(H,15,16)
InChIKeyGHHYTECGHJXPOT-UHFFFAOYSA-N
MW308.36 g/mol
LogP-0.29
Rot. Bonds6

About 2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid

2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid (PubChem CID 61263229) has the molecular formula C11H20N2O6S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid
PubChem CID61263229
Molecular FormulaC11H20N2O6S
Molecular Weight308.36 g/mol
Exact Mass308.10
IUPAC Name2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid
SMILESCCOC(=O)C1CCCN1S(=O)(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O6S/c1-4-19-9(14)8-6-5-7-13(8)20(17,18)12-11(2,3)10(15)16/h8,12H,4-7H2,1-3H3,(H,15,16)
InChIKeyGHHYTECGHJXPOT-UHFFFAOYSA-N
XLogP-0.29
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[(2-amino-2-methylpropyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 115303483
ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate
CID 43362367
3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid
CID 43362296
ethyl 1-[(2-amino-2-oxoethyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 64590448
ethyl 1-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate
CID 62734431
ethyl 1-(2-hydroxypropylsulfamoyl)pyrrolidine-2-carboxylate
CID 43502369
ethyl 1-(4-hydroxybutan-2-ylsulfamoyl)pyrrolidine-2-carboxylate
CID 115477982
ethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate
CID 104981869
2-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 61265168
ethyl 1-(pyrrolidin-3-ylsulfamoyl)pyrrolidine-2-carboxylate
CID 62380091
ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate
CID 59049637
2-(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342838

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid (CID 61263229) is 2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid is CCOC(=O)C1CCCN1S(=O)(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid?
The InChIKey is GHHYTECGHJXPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6S/c1-4-19-9(14)8-6-5-7-13(8)20(17,18)12-11(2,3)10(15)16/h8,12H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid?
2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid has a molecular weight of 308.36 g/mol, XLogP of -0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid is sourced from PubChem (CID 61263229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).