2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid

C9H20N4O4S — CID 67154841

IUPAC2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid
SMILESNC(CN(CC1CCNCC1)S(N)(=O)=O)C(=O)O
InChIInChI=1S/C9H20N4O4S/c10-8(9(14)15)6-13(18(11,16)17)5-7-1-3-12-4-2-7/h7-8,12H,1-6,10H2,(H,14,15)(H2,11,16,17)
InChIKeyLOSQUINHVPMDHW-UHFFFAOYSA-N
MW280.35 g/mol
LogP-2.10
Rot. Bonds6

About 2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid

2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid (PubChem CID 67154841) has the molecular formula C9H20N4O4S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid
PubChem CID67154841
Molecular FormulaC9H20N4O4S
Molecular Weight280.35 g/mol
Exact Mass280.12
IUPAC Name2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid
SMILESNC(CN(CC1CCNCC1)S(N)(=O)=O)C(=O)O
InChIInChI=1S/C9H20N4O4S/c10-8(9(14)15)6-13(18(11,16)17)5-7-1-3-12-4-2-7/h7-8,12H,1-6,10H2,(H,14,15)(H2,11,16,17)
InChIKeyLOSQUINHVPMDHW-UHFFFAOYSA-N
XLogP-2.10
TPSA138.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-2.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid?
The IUPAC name of 2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid (CID 67154841) is 2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid?
The canonical SMILES for 2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid is NC(CN(CC1CCNCC1)S(N)(=O)=O)C(=O)O.
What is the InChIKey of 2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid?
The InChIKey is LOSQUINHVPMDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O4S/c10-8(9(14)15)6-13(18(11,16)17)5-7-1-3-12-4-2-7/h7-8,12H,1-6,10H2,(H,14,15)(H2,11,16,17).
What are the key properties of 2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid?
2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid has a molecular weight of 280.35 g/mol, XLogP of -2.10, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid is sourced from PubChem (CID 67154841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).