methyl 1-butylsulfonyl-4-hydroxypyrrolidine-2-carboxylate

C10H19NO5S — CID 112632656

IUPACmethyl 1-butylsulfonyl-4-hydroxypyrrolidine-2-carboxylate
SMILESCCCCS(=O)(=O)N1CC(O)CC1C(=O)OC
InChIInChI=1S/C10H19NO5S/c1-3-4-5-17(14,15)11-7-8(12)6-9(11)10(13)16-2/h8-9,12H,3-7H2,1-2H3
InChIKeyXQTZFSIKAXKMAE-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.28
Rot. Bonds5

About methyl 1-butylsulfonyl-4-hydroxypyrrolidine-2-carboxylate

methyl 1-butylsulfonyl-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 112632656) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is methyl 1-butylsulfonyl-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-butylsulfonyl-4-hydroxypyrrolidine-2-carboxylate
PubChem CID112632656
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Namemethyl 1-butylsulfonyl-4-hydroxypyrrolidine-2-carboxylate
SMILESCCCCS(=O)(=O)N1CC(O)CC1C(=O)OC
InChIInChI=1S/C10H19NO5S/c1-3-4-5-17(14,15)11-7-8(12)6-9(11)10(13)16-2/h8-9,12H,3-7H2,1-2H3
InChIKeyXQTZFSIKAXKMAE-UHFFFAOYSA-N
XLogP-0.28
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-propylsulfonylaziridine-2-carboxylate
CID 87284941
methyl 4-hydroxy-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylate
CID 112632641
methyl 4-hydroxy-1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxylate
CID 115971421
methyl 4-hydroxy-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate
CID 112632626
methyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate
CID 115971596
methyl 1-(cyclopropylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylate
CID 114811635
methyl 1-heptanoyl-4-hydroxypyrrolidine-2-carboxylate
CID 112632311
methyl 1-(azepan-1-ylsulfonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115971403
(2S,4S)-4-hydroxy-1-(2-methoxy-2-oxoethyl)sulfonylpyrrolidine-2-carboxylic acid
CID 64712340
1-(3-chloropropylsulfonyl)-4-hydroxypyrrolidine-2-carboxamide
CID 60958828
methyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 54043412
(2S)-1-(3-ethoxy-3-oxopropyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 61459284

Frequently Asked Questions

What is the IUPAC name of methyl 1-butylsulfonyl-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-butylsulfonyl-4-hydroxypyrrolidine-2-carboxylate (CID 112632656) is methyl 1-butylsulfonyl-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-butylsulfonyl-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-butylsulfonyl-4-hydroxypyrrolidine-2-carboxylate is CCCCS(=O)(=O)N1CC(O)CC1C(=O)OC.
What is the InChIKey of methyl 1-butylsulfonyl-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is XQTZFSIKAXKMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-3-4-5-17(14,15)11-7-8(12)6-9(11)10(13)16-2/h8-9,12H,3-7H2,1-2H3.
What are the key properties of methyl 1-butylsulfonyl-4-hydroxypyrrolidine-2-carboxylate?
methyl 1-butylsulfonyl-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 265.33 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-butylsulfonyl-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 112632656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).