methyl 1-(cyclopropylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylate

C9H16N2O5S — CID 114811635

IUPACmethyl 1-(cyclopropylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1S(=O)(=O)NC1CC1
InChIInChI=1S/C9H16N2O5S/c1-16-9(13)8-4-7(12)5-11(8)17(14,15)10-6-2-3-6/h6-8,10,12H,2-5H2,1H3
InChIKeyOPMDGVAUDXJZGX-UHFFFAOYSA-N
MW264.30 g/mol
LogP-1.41
Rot. Bonds4

About methyl 1-(cyclopropylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylate

methyl 1-(cyclopropylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 114811635) has the molecular formula C9H16N2O5S and a molecular weight of 264.30 g/mol. Its IUPAC name is methyl 1-(cyclopropylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclopropylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID114811635
Molecular FormulaC9H16N2O5S
Molecular Weight264.30 g/mol
Exact Mass264.08
IUPAC Namemethyl 1-(cyclopropylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1S(=O)(=O)NC1CC1
InChIInChI=1S/C9H16N2O5S/c1-16-9(13)8-4-7(12)5-11(8)17(14,15)10-6-2-3-6/h6-8,10,12H,2-5H2,1H3
InChIKeyOPMDGVAUDXJZGX-UHFFFAOYSA-N
XLogP-1.41
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-hydroxy-2-methylpyrrolidine-1-sulfonamide
CID 130948913
methyl 4-hydroxy-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate
CID 112632626
methyl 4-hydroxy-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylate
CID 112632641
methyl 1-(azepan-1-ylsulfonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115971403
methyl 1-butylsulfonyl-4-hydroxypyrrolidine-2-carboxylate
CID 112632656
methyl 4-hydroxy-1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxylate
CID 115971421
methyl 4-hydroxy-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine-2-carboxylate
CID 115971436
(2R,4R)-4-hydroxy-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929151
methyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 54043412
methyl (2R,4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate
CID 7987004
methyl 1-propylsulfonylaziridine-2-carboxylate
CID 87284941
methyl 4-hydroxy-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxylate
CID 113444025

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclopropylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(cyclopropylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylate (CID 114811635) is methyl 1-(cyclopropylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(cyclopropylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(cyclopropylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1S(=O)(=O)NC1CC1.
What is the InChIKey of methyl 1-(cyclopropylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is OPMDGVAUDXJZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5S/c1-16-9(13)8-4-7(12)5-11(8)17(14,15)10-6-2-3-6/h6-8,10,12H,2-5H2,1H3.
What are the key properties of methyl 1-(cyclopropylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylate?
methyl 1-(cyclopropylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 264.30 g/mol, XLogP of -1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclopropylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 114811635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).