methyl 4-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylsulfamoyl]butanoate

C10H20N2O5S — CID 54952012

IUPACmethyl 4-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylsulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)N(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C10H20N2O5S/c1-12(8-6-11-7-9(8)13)18(15,16)5-3-4-10(14)17-2/h8-9,11,13H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyCZDBZVVVJLYKMP-RKDXNWHRSA-N
MW280.35 g/mol
LogP-1.47
Rot. Bonds6

About methyl 4-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylsulfamoyl]butanoate

methyl 4-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylsulfamoyl]butanoate (PubChem CID 54952012) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is methyl 4-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylsulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylsulfamoyl]butanoate
PubChem CID54952012
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Namemethyl 4-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylsulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)N(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C10H20N2O5S/c1-12(8-6-11-7-9(8)13)18(15,16)5-3-4-10(14)17-2/h8-9,11,13H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyCZDBZVVVJLYKMP-RKDXNWHRSA-N
XLogP-1.47
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[azetidin-3-yl(methyl)sulfamoyl]butanoate
CID 66185019
2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylethanesulfonamide
CID 63246304
methyl 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoate
CID 61460515
4-[azetidin-3-yl(methyl)sulfamoyl]butanoic acid
CID 66186641
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propan-2-yloxyethanesulfonamide
CID 79594745
methyl 4-[butan-2-yl(methyl)sulfamoyl]butanoate
CID 55139195
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-4-ylethanesulfonamide
CID 61142839
methyl 4-[cyclopentyl(propan-2-yl)sulfamoyl]butanoate
CID 86972402
(3R,4R)-3-[ethylsulfamoyl(methyl)amino]-4-hydroxypyrrolidine
CID 104978123
methyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate
CID 54951967
methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate
CID 107198654
methyl 4-[(2-hydroxycyclohexyl)-methylamino]butanoate
CID 62013260

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylsulfamoyl]butanoate?
The IUPAC name of methyl 4-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylsulfamoyl]butanoate (CID 54952012) is methyl 4-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylsulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylsulfamoyl]butanoate?
The canonical SMILES for methyl 4-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylsulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)N(C)[C@@H]1CNC[C@H]1O.
What is the InChIKey of methyl 4-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylsulfamoyl]butanoate?
The InChIKey is CZDBZVVVJLYKMP-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-12(8-6-11-7-9(8)13)18(15,16)5-3-4-10(14)17-2/h8-9,11,13H,3-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of methyl 4-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylsulfamoyl]butanoate?
methyl 4-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylsulfamoyl]butanoate has a molecular weight of 280.35 g/mol, XLogP of -1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylsulfamoyl]butanoate is sourced from PubChem (CID 54952012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).