3-[1-(ethoxycarbonylsulfamoyl)piperidin-4-yl]oxypropanoic acid

C11H20N2O7S — CID 114462701

IUPAC3-[1-(ethoxycarbonylsulfamoyl)piperidin-4-yl]oxypropanoic acid
SMILESCCOC(=O)NS(=O)(=O)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C11H20N2O7S/c1-2-19-11(16)12-21(17,18)13-6-3-9(4-7-13)20-8-5-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyHPASOJVRHPTILZ-UHFFFAOYSA-N
MW324.36 g/mol
LogP-0.07
Rot. Bonds7

About 3-[1-(ethoxycarbonylsulfamoyl)piperidin-4-yl]oxypropanoic acid

3-[1-(ethoxycarbonylsulfamoyl)piperidin-4-yl]oxypropanoic acid (PubChem CID 114462701) has the molecular formula C11H20N2O7S and a molecular weight of 324.36 g/mol. Its IUPAC name is 3-[1-(ethoxycarbonylsulfamoyl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(ethoxycarbonylsulfamoyl)piperidin-4-yl]oxypropanoic acid
PubChem CID114462701
Molecular FormulaC11H20N2O7S
Molecular Weight324.36 g/mol
Exact Mass324.10
IUPAC Name3-[1-(ethoxycarbonylsulfamoyl)piperidin-4-yl]oxypropanoic acid
SMILESCCOC(=O)NS(=O)(=O)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C11H20N2O7S/c1-2-19-11(16)12-21(17,18)13-6-3-9(4-7-13)20-8-5-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyHPASOJVRHPTILZ-UHFFFAOYSA-N
XLogP-0.07
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[4-(2-bromoethoxy)piperidin-1-yl]sulfonylcarbamate
CID 114466815
methyl 3-[4-(ethoxycarbonylsulfamoyl)piperazin-1-yl]propanoate
CID 114465560
3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63874882
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
ethyl N-[(1,3-dioxo-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridin-5-yl)sulfonyl]carbamate
CID 114463033
2-[4-(ethoxycarbonylsulfamoyl)morpholin-2-yl]acetic acid
CID 114462839
3-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxypropanoic acid
CID 79022757
3-[1-(3-methylsulfonylpropanoyl)piperidin-4-yl]oxypropanoic acid
CID 63876697
ethyl N-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]sulfonylcarbamate
CID 114463635
3-[1-[2-(ethylamino)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63876082
ethyl N-[(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)sulfonyl]carbamate
CID 114465316
3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid
CID 63904578

Frequently Asked Questions

What is the IUPAC name of 3-[1-(ethoxycarbonylsulfamoyl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(ethoxycarbonylsulfamoyl)piperidin-4-yl]oxypropanoic acid (CID 114462701) is 3-[1-(ethoxycarbonylsulfamoyl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(ethoxycarbonylsulfamoyl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(ethoxycarbonylsulfamoyl)piperidin-4-yl]oxypropanoic acid is CCOC(=O)NS(=O)(=O)N1CCC(OCCC(=O)O)CC1.
What is the InChIKey of 3-[1-(ethoxycarbonylsulfamoyl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is HPASOJVRHPTILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O7S/c1-2-19-11(16)12-21(17,18)13-6-3-9(4-7-13)20-8-5-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 3-[1-(ethoxycarbonylsulfamoyl)piperidin-4-yl]oxypropanoic acid?
3-[1-(ethoxycarbonylsulfamoyl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 324.36 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(ethoxycarbonylsulfamoyl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 114462701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).