2-[[1-(2-methoxy-2-oxoethyl)sulfonylpiperidin-3-yl]methylamino]acetic acid

C11H20N2O6S — CID 106813726

IUPAC2-[[1-(2-methoxy-2-oxoethyl)sulfonylpiperidin-3-yl]methylamino]acetic acid
SMILESCOC(=O)CS(=O)(=O)N1CCCC(CNCC(=O)O)C1
InChIInChI=1S/C11H20N2O6S/c1-19-11(16)8-20(17,18)13-4-2-3-9(7-13)5-12-6-10(14)15/h9,12H,2-8H2,1H3,(H,14,15)
InChIKeyBERLREKCFHEOLO-UHFFFAOYSA-N
MW308.36 g/mol
LogP-1.12
Rot. Bonds7

About 2-[[1-(2-methoxy-2-oxoethyl)sulfonylpiperidin-3-yl]methylamino]acetic acid

2-[[1-(2-methoxy-2-oxoethyl)sulfonylpiperidin-3-yl]methylamino]acetic acid (PubChem CID 106813726) has the molecular formula C11H20N2O6S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[[1-(2-methoxy-2-oxoethyl)sulfonylpiperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2-methoxy-2-oxoethyl)sulfonylpiperidin-3-yl]methylamino]acetic acid
PubChem CID106813726
Molecular FormulaC11H20N2O6S
Molecular Weight308.36 g/mol
Exact Mass308.10
IUPAC Name2-[[1-(2-methoxy-2-oxoethyl)sulfonylpiperidin-3-yl]methylamino]acetic acid
SMILESCOC(=O)CS(=O)(=O)N1CCCC(CNCC(=O)O)C1
InChIInChI=1S/C11H20N2O6S/c1-19-11(16)8-20(17,18)13-4-2-3-9(7-13)5-12-6-10(14)15/h9,12H,2-8H2,1H3,(H,14,15)
InChIKeyBERLREKCFHEOLO-UHFFFAOYSA-N
XLogP-1.12
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813727
2-[[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]methylamino]acetic acid;hydrochloride
CID 120727075
2-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813767
2-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813775
methyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate
CID 62370432
2-[[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-3-yl]methylamino]acetic acid
CID 120727058
methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942546
3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropanoic acid
CID 106586181
methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate
CID 66291556
2-[[1-(2-methylphenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid;hydrochloride
CID 120727081
2-[[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid
CID 120727080
4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]sulfonylbutanoic acid
CID 63241611

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxy-2-oxoethyl)sulfonylpiperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(2-methoxy-2-oxoethyl)sulfonylpiperidin-3-yl]methylamino]acetic acid (CID 106813726) is 2-[[1-(2-methoxy-2-oxoethyl)sulfonylpiperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(2-methoxy-2-oxoethyl)sulfonylpiperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(2-methoxy-2-oxoethyl)sulfonylpiperidin-3-yl]methylamino]acetic acid is COC(=O)CS(=O)(=O)N1CCCC(CNCC(=O)O)C1.
What is the InChIKey of 2-[[1-(2-methoxy-2-oxoethyl)sulfonylpiperidin-3-yl]methylamino]acetic acid?
The InChIKey is BERLREKCFHEOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6S/c1-19-11(16)8-20(17,18)13-4-2-3-9(7-13)5-12-6-10(14)15/h9,12H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-[[1-(2-methoxy-2-oxoethyl)sulfonylpiperidin-3-yl]methylamino]acetic acid?
2-[[1-(2-methoxy-2-oxoethyl)sulfonylpiperidin-3-yl]methylamino]acetic acid has a molecular weight of 308.36 g/mol, XLogP of -1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxy-2-oxoethyl)sulfonylpiperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 106813726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).