methyl 4-hydroxy-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate

C9H17NO5S — CID 112632626

IUPACmethyl 4-hydroxy-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1S(=O)(=O)C(C)C
InChIInChI=1S/C9H17NO5S/c1-6(2)16(13,14)10-5-7(11)4-8(10)9(12)15-3/h6-8,11H,4-5H2,1-3H3
InChIKeyVOQXVICSZXNURK-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.67
Rot. Bonds3

About methyl 4-hydroxy-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate

methyl 4-hydroxy-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate (PubChem CID 112632626) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is methyl 4-hydroxy-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate
PubChem CID112632626
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Namemethyl 4-hydroxy-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1S(=O)(=O)C(C)C
InChIInChI=1S/C9H17NO5S/c1-6(2)16(13,14)10-5-7(11)4-8(10)9(12)15-3/h6-8,11H,4-5H2,1-3H3
InChIKeyVOQXVICSZXNURK-UHFFFAOYSA-N
XLogP-0.67
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-hydroxy-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylate
CID 112632641
methyl 1-(cyclopropylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylate
CID 114811635
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-methylsulfonylpropanoyl)pyrrolidine-2-carboxylate
CID 113422292
methyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 112632548
methyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 54043412
methyl 4-hydroxy-1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxylate
CID 115971421
methyl 4-hydroxy-1-(2-hydroxypropyl)pyrrolidine-2-carboxylate
CID 112632729
methyl 4-hydroxy-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxylate
CID 113444025
methyl 4-hydroxy-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine-2-carboxylate
CID 115971436
methyl (2R,4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate
CID 7987004

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate (CID 112632626) is methyl 4-hydroxy-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1S(=O)(=O)C(C)C.
What is the InChIKey of methyl 4-hydroxy-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate?
The InChIKey is VOQXVICSZXNURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-6(2)16(13,14)10-5-7(11)4-8(10)9(12)15-3/h6-8,11H,4-5H2,1-3H3.
What are the key properties of methyl 4-hydroxy-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate has a molecular weight of 251.30 g/mol, XLogP of -0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate is sourced from PubChem (CID 112632626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).