3-(2-ethoxycarbonylpiperidin-1-yl)sulfonylpropanoic acid

C11H19NO6S — CID 43648308

IUPAC3-(2-ethoxycarbonylpiperidin-1-yl)sulfonylpropanoic acid
SMILESCCOC(=O)C1CCCCN1S(=O)(=O)CCC(=O)O
InChIInChI=1S/C11H19NO6S/c1-2-18-11(15)9-5-3-4-7-12(9)19(16,17)8-6-10(13)14/h9H,2-8H2,1H3,(H,13,14)
InChIKeyZMZHMYJDLDETPM-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.21
Rot. Bonds6

About 3-(2-ethoxycarbonylpiperidin-1-yl)sulfonylpropanoic acid

3-(2-ethoxycarbonylpiperidin-1-yl)sulfonylpropanoic acid (PubChem CID 43648308) has the molecular formula C11H19NO6S and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-(2-ethoxycarbonylpiperidin-1-yl)sulfonylpropanoic acid.

Molecular Properties

Compound Name3-(2-ethoxycarbonylpiperidin-1-yl)sulfonylpropanoic acid
PubChem CID43648308
Molecular FormulaC11H19NO6S
Molecular Weight293.34 g/mol
Exact Mass293.09
IUPAC Name3-(2-ethoxycarbonylpiperidin-1-yl)sulfonylpropanoic acid
SMILESCCOC(=O)C1CCCCN1S(=O)(=O)CCC(=O)O
InChIInChI=1S/C11H19NO6S/c1-2-18-11(15)9-5-3-4-7-12(9)19(16,17)8-6-10(13)14/h9H,2-8H2,1H3,(H,13,14)
InChIKeyZMZHMYJDLDETPM-UHFFFAOYSA-N
XLogP0.21
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate
CID 59049637
4-(2-methoxycarbonylpiperidin-1-yl)sulfonylbutanoic acid
CID 54876199
2-[1-(3-ethoxy-3-oxopropyl)sulfonylpiperidin-2-yl]acetic acid
CID 61459168
3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid
CID 43362296
3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonyl-ethylamino]propanoic acid
CID 61009034
ethyl 1-[2-(1-propylsulfonylpyrrolidine-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 55442436
methyl 1-(2-ethoxy-2-oxoethyl)sulfonylpiperidine-2-carboxylate
CID 78953815
3-[2-(hydroxymethyl)azepan-1-yl]sulfonylpropanoic acid
CID 116634341
(2S)-1-(2-ethoxyethylsulfonyl)piperidine-2-carboxylic acid
CID 66263402
(2R)-1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-2-carboxylic acid
CID 79034671
3-(2-carbamoylazetidin-1-yl)sulfonylpropanoic acid
CID 165493041
ethyl (2R)-1-thiomorpholin-4-ylsulfonylpiperidine-2-carboxylate
CID 94810365

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxycarbonylpiperidin-1-yl)sulfonylpropanoic acid?
The IUPAC name of 3-(2-ethoxycarbonylpiperidin-1-yl)sulfonylpropanoic acid (CID 43648308) is 3-(2-ethoxycarbonylpiperidin-1-yl)sulfonylpropanoic acid.
What is the SMILES notation for 3-(2-ethoxycarbonylpiperidin-1-yl)sulfonylpropanoic acid?
The canonical SMILES for 3-(2-ethoxycarbonylpiperidin-1-yl)sulfonylpropanoic acid is CCOC(=O)C1CCCCN1S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-(2-ethoxycarbonylpiperidin-1-yl)sulfonylpropanoic acid?
The InChIKey is ZMZHMYJDLDETPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6S/c1-2-18-11(15)9-5-3-4-7-12(9)19(16,17)8-6-10(13)14/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 3-(2-ethoxycarbonylpiperidin-1-yl)sulfonylpropanoic acid?
3-(2-ethoxycarbonylpiperidin-1-yl)sulfonylpropanoic acid has a molecular weight of 293.34 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxycarbonylpiperidin-1-yl)sulfonylpropanoic acid is sourced from PubChem (CID 43648308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).