ethyl 1-[(2-amino-2-oxoethyl)sulfamoyl]pyrrolidine-2-carboxylate

C9H17N3O5S — CID 64590448

IUPACethyl 1-[(2-amino-2-oxoethyl)sulfamoyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(=O)(=O)NCC(N)=O
InChIInChI=1S/C9H17N3O5S/c1-2-17-9(14)7-4-3-5-12(7)18(15,16)11-6-8(10)13/h7,11H,2-6H2,1H3,(H2,10,13)
InChIKeyRPUAAPRTLWWFOA-UHFFFAOYSA-N
MW279.32 g/mol
LogP-1.67
Rot. Bonds6

About ethyl 1-[(2-amino-2-oxoethyl)sulfamoyl]pyrrolidine-2-carboxylate

ethyl 1-[(2-amino-2-oxoethyl)sulfamoyl]pyrrolidine-2-carboxylate (PubChem CID 64590448) has the molecular formula C9H17N3O5S and a molecular weight of 279.32 g/mol. Its IUPAC name is ethyl 1-[(2-amino-2-oxoethyl)sulfamoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-amino-2-oxoethyl)sulfamoyl]pyrrolidine-2-carboxylate
PubChem CID64590448
Molecular FormulaC9H17N3O5S
Molecular Weight279.32 g/mol
Exact Mass279.09
IUPAC Nameethyl 1-[(2-amino-2-oxoethyl)sulfamoyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(=O)(=O)NCC(N)=O
InChIInChI=1S/C9H17N3O5S/c1-2-17-9(14)7-4-3-5-12(7)18(15,16)11-6-8(10)13/h7,11H,2-6H2,1H3,(H2,10,13)
InChIKeyRPUAAPRTLWWFOA-UHFFFAOYSA-N
XLogP-1.67
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 5-1.67
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
ethyl 1-(prop-2-enylsulfamoyl)pyrrolidine-2-carboxylate
CID 62734431
ethyl 1-(2-hydroxypropylsulfamoyl)pyrrolidine-2-carboxylate
CID 43502369
3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid
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ethyl 1-(pyrrolidin-3-ylsulfamoyl)pyrrolidine-2-carboxylate
CID 62380091
2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid
CID 61263229
ethyl 1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 103876035
ethyl 1-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate
CID 104981869
ethyl 1-(4-hydroxybutan-2-ylsulfamoyl)pyrrolidine-2-carboxylate
CID 115477982
ethyl 1-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]pyrrolidine-2-carboxylate
CID 103848070
ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate
CID 59049637

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-amino-2-oxoethyl)sulfamoyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[(2-amino-2-oxoethyl)sulfamoyl]pyrrolidine-2-carboxylate (CID 64590448) is ethyl 1-[(2-amino-2-oxoethyl)sulfamoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(2-amino-2-oxoethyl)sulfamoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(2-amino-2-oxoethyl)sulfamoyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1S(=O)(=O)NCC(N)=O.
What is the InChIKey of ethyl 1-[(2-amino-2-oxoethyl)sulfamoyl]pyrrolidine-2-carboxylate?
The InChIKey is RPUAAPRTLWWFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O5S/c1-2-17-9(14)7-4-3-5-12(7)18(15,16)11-6-8(10)13/h7,11H,2-6H2,1H3,(H2,10,13).
What are the key properties of ethyl 1-[(2-amino-2-oxoethyl)sulfamoyl]pyrrolidine-2-carboxylate?
ethyl 1-[(2-amino-2-oxoethyl)sulfamoyl]pyrrolidine-2-carboxylate has a molecular weight of 279.32 g/mol, XLogP of -1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-amino-2-oxoethyl)sulfamoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 64590448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).