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

C9H18N2O5S — CID 66165651

IUPAC2-hydroxy-3-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid
SMILESCC1CCCCN1S(=O)(=O)NCC(O)C(=O)O
InChIInChI=1S/C9H18N2O5S/c1-7-4-2-3-5-11(7)17(15,16)10-6-8(12)9(13)14/h7-8,10,12H,2-6H2,1H3,(H,13,14)
InChIKeyUIIYZNSXCYFKMQ-UHFFFAOYSA-N
MW266.32 g/mol
LogP-0.86
Rot. Bonds5

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

2-hydroxy-3-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid (PubChem CID 66165651) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid
PubChem CID66165651
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Name2-hydroxy-3-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid
SMILESCC1CCCCN1S(=O)(=O)NCC(O)C(=O)O
InChIInChI=1S/C9H18N2O5S/c1-7-4-2-3-5-11(7)17(15,16)10-6-8(12)9(13)14/h7-8,10,12H,2-6H2,1H3,(H,13,14)
InChIKeyUIIYZNSXCYFKMQ-UHFFFAOYSA-N
XLogP-0.86
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid (CID 66165651) is 2-hydroxy-3-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid is CC1CCCCN1S(=O)(=O)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid?
The InChIKey is UIIYZNSXCYFKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-7-4-2-3-5-11(7)17(15,16)10-6-8(12)9(13)14/h7-8,10,12H,2-6H2,1H3,(H,13,14).
What are the key properties of 2-hydroxy-3-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid?
2-hydroxy-3-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid has a molecular weight of 266.32 g/mol, XLogP of -0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 66165651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).