ethyl 1-(2-hydroxypropylsulfamoyl)pyrrolidine-2-carboxylate

C10H20N2O5S — CID 43502369

IUPACethyl 1-(2-hydroxypropylsulfamoyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(=O)(=O)NCC(C)O
InChIInChI=1S/C10H20N2O5S/c1-3-17-10(14)9-5-4-6-12(9)18(15,16)11-7-8(2)13/h8-9,11,13H,3-7H2,1-2H3
InChIKeyJHQJGJWGMSFWFP-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.77
Rot. Bonds6

About ethyl 1-(2-hydroxypropylsulfamoyl)pyrrolidine-2-carboxylate

ethyl 1-(2-hydroxypropylsulfamoyl)pyrrolidine-2-carboxylate (PubChem CID 43502369) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is ethyl 1-(2-hydroxypropylsulfamoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-hydroxypropylsulfamoyl)pyrrolidine-2-carboxylate
PubChem CID43502369
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Nameethyl 1-(2-hydroxypropylsulfamoyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(=O)(=O)NCC(C)O
InChIInChI=1S/C10H20N2O5S/c1-3-17-10(14)9-5-4-6-12(9)18(15,16)11-7-8(2)13/h8-9,11,13H,3-7H2,1-2H3
InChIKeyJHQJGJWGMSFWFP-UHFFFAOYSA-N
XLogP-0.77
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.77
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
3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid
CID 43362296
ethyl 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 103876035
ethyl 1-(4-hydroxybutan-2-ylsulfamoyl)pyrrolidine-2-carboxylate
CID 115477982
ethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate
CID 104981869
methyl 1-(2-methylpropylsulfamoyl)piperidine-2-carboxylate
CID 114816360
2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid
CID 61263229
ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)pyrrolidine-2-carboxylate
CID 60983590
ethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 112548538

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-hydroxypropylsulfamoyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(2-hydroxypropylsulfamoyl)pyrrolidine-2-carboxylate (CID 43502369) is ethyl 1-(2-hydroxypropylsulfamoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-hydroxypropylsulfamoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-hydroxypropylsulfamoyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1S(=O)(=O)NCC(C)O.
What is the InChIKey of ethyl 1-(2-hydroxypropylsulfamoyl)pyrrolidine-2-carboxylate?
The InChIKey is JHQJGJWGMSFWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-3-17-10(14)9-5-4-6-12(9)18(15,16)11-7-8(2)13/h8-9,11,13H,3-7H2,1-2H3.
What are the key properties of ethyl 1-(2-hydroxypropylsulfamoyl)pyrrolidine-2-carboxylate?
ethyl 1-(2-hydroxypropylsulfamoyl)pyrrolidine-2-carboxylate has a molecular weight of 280.35 g/mol, XLogP of -0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-hydroxypropylsulfamoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 43502369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).