2-hydroxy-3-(piperidin-1-ylsulfonylamino)propanoic acid

C8H16N2O5S — CID 66167936

IUPAC2-hydroxy-3-(piperidin-1-ylsulfonylamino)propanoic acid
SMILESO=C(O)C(O)CNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H16N2O5S/c11-7(8(12)13)6-9-16(14,15)10-4-2-1-3-5-10/h7,9,11H,1-6H2,(H,12,13)
InChIKeyKQBXJYZQQHNQOG-UHFFFAOYSA-N
MW252.29 g/mol
LogP-1.25
Rot. Bonds5

About 2-hydroxy-3-(piperidin-1-ylsulfonylamino)propanoic acid

2-hydroxy-3-(piperidin-1-ylsulfonylamino)propanoic acid (PubChem CID 66167936) has the molecular formula C8H16N2O5S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-hydroxy-3-(piperidin-1-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(piperidin-1-ylsulfonylamino)propanoic acid
PubChem CID66167936
Molecular FormulaC8H16N2O5S
Molecular Weight252.29 g/mol
Exact Mass252.08
IUPAC Name2-hydroxy-3-(piperidin-1-ylsulfonylamino)propanoic acid
SMILESO=C(O)C(O)CNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H16N2O5S/c11-7(8(12)13)6-9-16(14,15)10-4-2-1-3-5-10/h7,9,11H,1-6H2,(H,12,13)
InChIKeyKQBXJYZQQHNQOG-UHFFFAOYSA-N
XLogP-1.25
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(piperidin-1-ylsulfonylamino)propanoic acid?
The IUPAC name of 2-hydroxy-3-(piperidin-1-ylsulfonylamino)propanoic acid (CID 66167936) is 2-hydroxy-3-(piperidin-1-ylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(piperidin-1-ylsulfonylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(piperidin-1-ylsulfonylamino)propanoic acid is O=C(O)C(O)CNS(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-hydroxy-3-(piperidin-1-ylsulfonylamino)propanoic acid?
The InChIKey is KQBXJYZQQHNQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5S/c11-7(8(12)13)6-9-16(14,15)10-4-2-1-3-5-10/h7,9,11H,1-6H2,(H,12,13).
What are the key properties of 2-hydroxy-3-(piperidin-1-ylsulfonylamino)propanoic acid?
2-hydroxy-3-(piperidin-1-ylsulfonylamino)propanoic acid has a molecular weight of 252.29 g/mol, XLogP of -1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(piperidin-1-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 66167936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).