2-amino-3-[4-(dimethylamino)piperidin-1-yl]sulfonylpropanoic acid

C10H21N3O4S — CID 70945475

IUPAC2-amino-3-[4-(dimethylamino)piperidin-1-yl]sulfonylpropanoic acid
SMILESCN(C)C1CCN(S(=O)(=O)CC(N)C(=O)O)CC1
InChIInChI=1S/C10H21N3O4S/c1-12(2)8-3-5-13(6-4-8)18(16,17)7-9(11)10(14)15/h8-9H,3-7,11H2,1-2H3,(H,14,15)
InChIKeyQADHFUYIODHGTO-UHFFFAOYSA-N
MW279.36 g/mol
LogP-1.25
Rot. Bonds5

About 2-amino-3-[4-(dimethylamino)piperidin-1-yl]sulfonylpropanoic acid

2-amino-3-[4-(dimethylamino)piperidin-1-yl]sulfonylpropanoic acid (PubChem CID 70945475) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-amino-3-[4-(dimethylamino)piperidin-1-yl]sulfonylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-(dimethylamino)piperidin-1-yl]sulfonylpropanoic acid
PubChem CID70945475
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC Name2-amino-3-[4-(dimethylamino)piperidin-1-yl]sulfonylpropanoic acid
SMILESCN(C)C1CCN(S(=O)(=O)CC(N)C(=O)O)CC1
InChIInChI=1S/C10H21N3O4S/c1-12(2)8-3-5-13(6-4-8)18(16,17)7-9(11)10(14)15/h8-9H,3-7,11H2,1-2H3,(H,14,15)
InChIKeyQADHFUYIODHGTO-UHFFFAOYSA-N
XLogP-1.25
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(dimethylamino)piperidin-1-yl]sulfonylpropanoic acid?
The IUPAC name of 2-amino-3-[4-(dimethylamino)piperidin-1-yl]sulfonylpropanoic acid (CID 70945475) is 2-amino-3-[4-(dimethylamino)piperidin-1-yl]sulfonylpropanoic acid.
What is the SMILES notation for 2-amino-3-[4-(dimethylamino)piperidin-1-yl]sulfonylpropanoic acid?
The canonical SMILES for 2-amino-3-[4-(dimethylamino)piperidin-1-yl]sulfonylpropanoic acid is CN(C)C1CCN(S(=O)(=O)CC(N)C(=O)O)CC1.
What is the InChIKey of 2-amino-3-[4-(dimethylamino)piperidin-1-yl]sulfonylpropanoic acid?
The InChIKey is QADHFUYIODHGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4S/c1-12(2)8-3-5-13(6-4-8)18(16,17)7-9(11)10(14)15/h8-9H,3-7,11H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-3-[4-(dimethylamino)piperidin-1-yl]sulfonylpropanoic acid?
2-amino-3-[4-(dimethylamino)piperidin-1-yl]sulfonylpropanoic acid has a molecular weight of 279.36 g/mol, XLogP of -1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(dimethylamino)piperidin-1-yl]sulfonylpropanoic acid is sourced from PubChem (CID 70945475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).