methyl 3-[(3-cyclopropyl-3-hydroxyazetidin-1-yl)sulfonyl-methylamino]propanoate

C11H20N2O5S — CID 102685193

IUPACmethyl 3-[(3-cyclopropyl-3-hydroxyazetidin-1-yl)sulfonyl-methylamino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C11H20N2O5S/c1-12(6-5-10(14)18-2)19(16,17)13-7-11(15,8-13)9-3-4-9/h9,15H,3-8H2,1-2H3
InChIKeySRDJWCYUEJKMKM-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.82
Rot. Bonds6

About methyl 3-[(3-cyclopropyl-3-hydroxyazetidin-1-yl)sulfonyl-methylamino]propanoate

methyl 3-[(3-cyclopropyl-3-hydroxyazetidin-1-yl)sulfonyl-methylamino]propanoate (PubChem CID 102685193) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is methyl 3-[(3-cyclopropyl-3-hydroxyazetidin-1-yl)sulfonyl-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-cyclopropyl-3-hydroxyazetidin-1-yl)sulfonyl-methylamino]propanoate
PubChem CID102685193
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Namemethyl 3-[(3-cyclopropyl-3-hydroxyazetidin-1-yl)sulfonyl-methylamino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C11H20N2O5S/c1-12(6-5-10(14)18-2)19(16,17)13-7-11(15,8-13)9-3-4-9/h9,15H,3-8H2,1-2H3
InChIKeySRDJWCYUEJKMKM-UHFFFAOYSA-N
XLogP-0.82
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(3-cyclopropyl-3-hydroxyazetidin-1-yl)sulfonyl-methylamino]propanoate with MolForge

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Related Compounds

methyl 3-[(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-methylamino]propanoate
CID 120778948
methyl 3-[(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-methylamino]propanoate
CID 81096925
methyl 3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-methylamino]propanoate
CID 103834182
methyl 3-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-methylamino]propanoate
CID 120777156
methyl 3-[(7,7-dimethyl-1,4-thiazepan-4-yl)sulfonyl-methylamino]propanoate
CID 107271341
methyl 4-[methyl(morpholin-4-ylsulfonyl)amino]butanoate
CID 54940579
methyl 3-[methyl-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]amino]propanoate
CID 106313446
methyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate
CID 54942769
methyl 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-methylamino]butanoate
CID 94400725
methyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]butanoate
CID 51075470
methyl 3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl-methylamino]propanoate
CID 114393227
methyl 3-[(1,4-dimethylpiperidin-4-yl)methylsulfamoyl-methylamino]propanoate
CID 107163159

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-cyclopropyl-3-hydroxyazetidin-1-yl)sulfonyl-methylamino]propanoate?
The IUPAC name of methyl 3-[(3-cyclopropyl-3-hydroxyazetidin-1-yl)sulfonyl-methylamino]propanoate (CID 102685193) is methyl 3-[(3-cyclopropyl-3-hydroxyazetidin-1-yl)sulfonyl-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(3-cyclopropyl-3-hydroxyazetidin-1-yl)sulfonyl-methylamino]propanoate?
The canonical SMILES for methyl 3-[(3-cyclopropyl-3-hydroxyazetidin-1-yl)sulfonyl-methylamino]propanoate is COC(=O)CCN(C)S(=O)(=O)N1CC(O)(C2CC2)C1.
What is the InChIKey of methyl 3-[(3-cyclopropyl-3-hydroxyazetidin-1-yl)sulfonyl-methylamino]propanoate?
The InChIKey is SRDJWCYUEJKMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-12(6-5-10(14)18-2)19(16,17)13-7-11(15,8-13)9-3-4-9/h9,15H,3-8H2,1-2H3.
What are the key properties of methyl 3-[(3-cyclopropyl-3-hydroxyazetidin-1-yl)sulfonyl-methylamino]propanoate?
methyl 3-[(3-cyclopropyl-3-hydroxyazetidin-1-yl)sulfonyl-methylamino]propanoate has a molecular weight of 292.36 g/mol, XLogP of -0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-cyclopropyl-3-hydroxyazetidin-1-yl)sulfonyl-methylamino]propanoate is sourced from PubChem (CID 102685193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).