2-(4-ethoxycarbonylpiperidin-1-yl)sulfonylacetic acid

C10H17NO6S — CID 28940930

IUPAC2-(4-ethoxycarbonylpiperidin-1-yl)sulfonylacetic acid
SMILESCCOC(=O)C1CCN(S(=O)(=O)CC(=O)O)CC1
InChIInChI=1S/C10H17NO6S/c1-2-17-10(14)8-3-5-11(6-4-8)18(15,16)7-9(12)13/h8H,2-7H2,1H3,(H,12,13)
InChIKeyQDLWTLNGVHLWTK-UHFFFAOYSA-N
MW279.31 g/mol
LogP-0.32
Rot. Bonds5

About 2-(4-ethoxycarbonylpiperidin-1-yl)sulfonylacetic acid

2-(4-ethoxycarbonylpiperidin-1-yl)sulfonylacetic acid (PubChem CID 28940930) has the molecular formula C10H17NO6S and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-(4-ethoxycarbonylpiperidin-1-yl)sulfonylacetic acid.

Molecular Properties

Compound Name2-(4-ethoxycarbonylpiperidin-1-yl)sulfonylacetic acid
PubChem CID28940930
Molecular FormulaC10H17NO6S
Molecular Weight279.31 g/mol
Exact Mass279.08
IUPAC Name2-(4-ethoxycarbonylpiperidin-1-yl)sulfonylacetic acid
SMILESCCOC(=O)C1CCN(S(=O)(=O)CC(=O)O)CC1
InChIInChI=1S/C10H17NO6S/c1-2-17-10(14)8-3-5-11(6-4-8)18(15,16)7-9(12)13/h8H,2-7H2,1H3,(H,12,13)
InChIKeyQDLWTLNGVHLWTK-UHFFFAOYSA-N
XLogP-0.32
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Ethanesulfonyl)piperidine-4-carboxylic acid
CID 4962812
Methyl 1-(methylsulfonyl)-4-piperidinecarboxylate
CID 2763709
1-(Cyclopropylsulfonyl)piperidine-4-carboxylic acid
CID 25000516
Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate
CID 669104
1-(Propane-1-sulfonyl)piperidine-4-carboxylic acid
CID 4047204
1-(Butane-1-sulfonyl)piperidine-4-carboxylic acid
CID 16228565
Methyl 1-(2-sulfamoylethyl)piperidine-4-carboxylate
CID 56828082
1-(2-Sulfamoylethyl)piperidine-4-carboxylic acid hydrochloride
CID 75422240
2,2-Dimethylpropyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 72023293
Ethyl 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine-4-carboxylate
CID 58527739
3,3,3-Trifluoro-2-(1-methylpiperidine-4-carbonyl)oxypropane-1-sulfonic acid
CID 129061709
1-(2-Sulfamoylethyl)piperidine-4-carboxylic acid
CID 75422241

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxycarbonylpiperidin-1-yl)sulfonylacetic acid?
The IUPAC name of 2-(4-ethoxycarbonylpiperidin-1-yl)sulfonylacetic acid (CID 28940930) is 2-(4-ethoxycarbonylpiperidin-1-yl)sulfonylacetic acid.
What is the SMILES notation for 2-(4-ethoxycarbonylpiperidin-1-yl)sulfonylacetic acid?
The canonical SMILES for 2-(4-ethoxycarbonylpiperidin-1-yl)sulfonylacetic acid is CCOC(=O)C1CCN(S(=O)(=O)CC(=O)O)CC1.
What is the InChIKey of 2-(4-ethoxycarbonylpiperidin-1-yl)sulfonylacetic acid?
The InChIKey is QDLWTLNGVHLWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO6S/c1-2-17-10(14)8-3-5-11(6-4-8)18(15,16)7-9(12)13/h8H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-(4-ethoxycarbonylpiperidin-1-yl)sulfonylacetic acid?
2-(4-ethoxycarbonylpiperidin-1-yl)sulfonylacetic acid has a molecular weight of 279.31 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxycarbonylpiperidin-1-yl)sulfonylacetic acid is sourced from PubChem (CID 28940930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).