3-methoxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid

C10H20N2O5S — CID 81078480

IUPAC3-methoxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid
SMILESCOCC(NS(=O)(=O)N1CCCCC1C)C(=O)O
InChIInChI=1S/C10H20N2O5S/c1-8-5-3-4-6-12(8)18(15,16)11-9(7-17-2)10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyGKKNJLCVMJLIHY-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.21
Rot. Bonds6

About 3-methoxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid

3-methoxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid (PubChem CID 81078480) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-methoxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid
PubChem CID81078480
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name3-methoxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid
SMILESCOCC(NS(=O)(=O)N1CCCCC1C)C(=O)O
InChIInChI=1S/C10H20N2O5S/c1-8-5-3-4-6-12(8)18(15,16)11-9(7-17-2)10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyGKKNJLCVMJLIHY-UHFFFAOYSA-N
XLogP-0.21
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid?
The IUPAC name of 3-methoxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid (CID 81078480) is 3-methoxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid is COCC(NS(=O)(=O)N1CCCCC1C)C(=O)O.
What is the InChIKey of 3-methoxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid?
The InChIKey is GKKNJLCVMJLIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-8-5-3-4-6-12(8)18(15,16)11-9(7-17-2)10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 3-methoxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid?
3-methoxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid has a molecular weight of 280.35 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 81078480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).