methyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate

C13H17NO6S — CID 54043412

IUPACmethyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CC(O)CN1S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO6S/c1-19-10-3-5-11(6-4-10)21(17,18)14-8-9(15)7-12(14)13(16)20-2/h3-6,9,12,15H,7-8H2,1-2H3/t9?,12-/m1/s1
InChIKeyLNXLMQUUVYNELP-FFFFSGIJSA-N
MW315.35 g/mol
LogP-0.01
Rot. Bonds4

About methyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate

methyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate (PubChem CID 54043412) has the molecular formula C13H17NO6S and a molecular weight of 315.35 g/mol. Its IUPAC name is methyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
PubChem CID54043412
Molecular FormulaC13H17NO6S
Molecular Weight315.35 g/mol
Exact Mass315.08
IUPAC Namemethyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CC(O)CN1S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO6S/c1-19-10-3-5-11(6-4-10)21(17,18)14-8-9(15)7-12(14)13(16)20-2/h3-6,9,12,15H,7-8H2,1-2H3/t9?,12-/m1/s1
InChIKeyLNXLMQUUVYNELP-FFFFSGIJSA-N
XLogP-0.01
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-(methylamino)pyrrolidine-2-carboxylate
CID 10782506
methyl (2R,4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate
CID 7987004
methyl 4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 76663943
methyl (2R,4R)-4-methylsulfonyloxy-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 10740862
methyl (2S)-4-[(4-methoxyphenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 91711176
ethyl (2R,4R)-4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 10470830
methyl 1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylate
CID 10736622
(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 1294264
methyl 1-(4-methoxyphenyl)sulfonylpiperazin-4-ium-2-carboxylate chloride
CID 10736621
methyl 4-hydroxy-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxylate
CID 113444025
[(2R,4S)-4-hydroxy-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 40786217
methyl (2R,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 134263030

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate (CID 54043412) is methyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate is COC(=O)[C@H]1CC(O)CN1S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate?
The InChIKey is LNXLMQUUVYNELP-FFFFSGIJSA-N. The full InChI is InChI=1S/C13H17NO6S/c1-19-10-3-5-11(6-4-10)21(17,18)14-8-9(15)7-12(14)13(16)20-2/h3-6,9,12,15H,7-8H2,1-2H3/t9?,12-/m1/s1.
What are the key properties of methyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate?
methyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate has a molecular weight of 315.35 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate is sourced from PubChem (CID 54043412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).