3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid

C10H18N2O6S — CID 43362296

IUPAC3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid
SMILESCCOC(=O)C1CCCN1S(=O)(=O)NCCC(=O)O
InChIInChI=1S/C10H18N2O6S/c1-2-18-10(15)8-4-3-7-12(8)19(16,17)11-6-5-9(13)14/h8,11H,2-7H2,1H3,(H,13,14)
InChIKeyIXFJRLRZCURQEF-UHFFFAOYSA-N
MW294.33 g/mol
LogP-0.68
Rot. Bonds7

About 3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid

3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid (PubChem CID 43362296) has the molecular formula C10H18N2O6S and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid
PubChem CID43362296
Molecular FormulaC10H18N2O6S
Molecular Weight294.33 g/mol
Exact Mass294.09
IUPAC Name3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid
SMILESCCOC(=O)C1CCCN1S(=O)(=O)NCCC(=O)O
InChIInChI=1S/C10H18N2O6S/c1-2-18-10(15)8-4-3-7-12(8)19(16,17)11-6-5-9(13)14/h8,11H,2-7H2,1H3,(H,13,14)
InChIKeyIXFJRLRZCURQEF-UHFFFAOYSA-N
XLogP-0.68
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 5-0.68
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-[(2-amino-2-oxoethyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 64590448
ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate
CID 43362367
ethyl 1-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate
CID 62734431
ethyl 1-(2-hydroxypropylsulfamoyl)pyrrolidine-2-carboxylate
CID 43502369
ethyl 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 103876035
3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonyl-ethylamino]propanoic acid
CID 61009034
2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid
CID 61263229
3-(2-ethoxycarbonylpiperidin-1-yl)sulfonylpropanoic acid
CID 43648308
ethyl 1-(4-hydroxybutan-2-ylsulfamoyl)pyrrolidine-2-carboxylate
CID 115477982
ethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate
CID 104981869
ethyl 1-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]pyrrolidine-2-carboxylate
CID 103848070

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid (CID 43362296) is 3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid is CCOC(=O)C1CCCN1S(=O)(=O)NCCC(=O)O.
What is the InChIKey of 3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid?
The InChIKey is IXFJRLRZCURQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6S/c1-2-18-10(15)8-4-3-7-12(8)19(16,17)11-6-5-9(13)14/h8,11H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid?
3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid has a molecular weight of 294.33 g/mol, XLogP of -0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 43362296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).