methyl 3-[cyclopropylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate

C12H22N2O5S — CID 114383270

IUPACmethyl 3-[cyclopropylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(CC1CCCO1)S(=O)(=O)NC1CC1
InChIInChI=1S/C12H22N2O5S/c1-18-12(15)6-7-14(9-11-3-2-8-19-11)20(16,17)13-10-4-5-10/h10-11,13H,2-9H2,1H3
InChIKeyIPCXHSWLOSQHBY-UHFFFAOYSA-N
MW306.38 g/mol
LogP0.03
Rot. Bonds8

About methyl 3-[cyclopropylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate

methyl 3-[cyclopropylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate (PubChem CID 114383270) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is methyl 3-[cyclopropylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[cyclopropylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate
PubChem CID114383270
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Namemethyl 3-[cyclopropylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(CC1CCCO1)S(=O)(=O)NC1CC1
InChIInChI=1S/C12H22N2O5S/c1-18-12(15)6-7-14(9-11-3-2-8-19-11)20(16,17)13-10-4-5-10/h10-11,13H,2-9H2,1H3
InChIKeyIPCXHSWLOSQHBY-UHFFFAOYSA-N
XLogP0.03
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[methoxycarbonylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate
CID 114465544
methyl 3-[tert-butylsulfonyl(oxolan-2-ylmethyl)amino]propanoate
CID 115536200
methyl 3-[2-ethoxyethylsulfonyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964117
methyl 3-[oxolan-2-ylmethyl(propan-2-yl)amino]propanoate
CID 78960585
methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate
CID 61233938
methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate
CID 114448994
methyl 3-[2-methylpropyl(oxolan-2-ylmethyl)amino]propanoate
CID 60606291
methyl 3-[3,3-dimethylbutanoyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964270
methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate
CID 113237140
methyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964574
methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
CID 47039081
methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
CID 61434381

Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclopropylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate?
The IUPAC name of methyl 3-[cyclopropylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate (CID 114383270) is methyl 3-[cyclopropylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[cyclopropylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate?
The canonical SMILES for methyl 3-[cyclopropylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate is COC(=O)CCN(CC1CCCO1)S(=O)(=O)NC1CC1.
What is the InChIKey of methyl 3-[cyclopropylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate?
The InChIKey is IPCXHSWLOSQHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-18-12(15)6-7-14(9-11-3-2-8-19-11)20(16,17)13-10-4-5-10/h10-11,13H,2-9H2,1H3.
What are the key properties of methyl 3-[cyclopropylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate?
methyl 3-[cyclopropylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate has a molecular weight of 306.38 g/mol, XLogP of 0.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclopropylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate is sourced from PubChem (CID 114383270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).