2-amino-3-[[ethyl-[2-(methylamino)ethyl]sulfamoyl]amino]propanoic acid

C8H20N4O4S — CID 155056488

IUPAC2-amino-3-[[ethyl-[2-(methylamino)ethyl]sulfamoyl]amino]propanoic acid
SMILESCCN(CCNC)S(=O)(=O)NCC(N)C(=O)O
InChIInChI=1S/C8H20N4O4S/c1-3-12(5-4-10-2)17(15,16)11-6-7(9)8(13)14/h7,10-11H,3-6,9H2,1-2H3,(H,13,14)
InChIKeyJBCVBPKOKYBHHR-UHFFFAOYSA-N
MW268.34 g/mol
LogP-2.23
Rot. Bonds9

About 2-amino-3-[[ethyl-[2-(methylamino)ethyl]sulfamoyl]amino]propanoic acid

2-amino-3-[[ethyl-[2-(methylamino)ethyl]sulfamoyl]amino]propanoic acid (PubChem CID 155056488) has the molecular formula C8H20N4O4S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-amino-3-[[ethyl-[2-(methylamino)ethyl]sulfamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[[ethyl-[2-(methylamino)ethyl]sulfamoyl]amino]propanoic acid
PubChem CID155056488
Molecular FormulaC8H20N4O4S
Molecular Weight268.34 g/mol
Exact Mass268.12
IUPAC Name2-amino-3-[[ethyl-[2-(methylamino)ethyl]sulfamoyl]amino]propanoic acid
SMILESCCN(CCNC)S(=O)(=O)NCC(N)C(=O)O
InChIInChI=1S/C8H20N4O4S/c1-3-12(5-4-10-2)17(15,16)11-6-7(9)8(13)14/h7,10-11H,3-6,9H2,1-2H3,(H,13,14)
InChIKeyJBCVBPKOKYBHHR-UHFFFAOYSA-N
XLogP-2.23
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 5-2.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[ethyl-[2-(methylamino)ethyl]sulfamoyl]amino]propanoic acid?
The IUPAC name of 2-amino-3-[[ethyl-[2-(methylamino)ethyl]sulfamoyl]amino]propanoic acid (CID 155056488) is 2-amino-3-[[ethyl-[2-(methylamino)ethyl]sulfamoyl]amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[[ethyl-[2-(methylamino)ethyl]sulfamoyl]amino]propanoic acid?
The canonical SMILES for 2-amino-3-[[ethyl-[2-(methylamino)ethyl]sulfamoyl]amino]propanoic acid is CCN(CCNC)S(=O)(=O)NCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[[ethyl-[2-(methylamino)ethyl]sulfamoyl]amino]propanoic acid?
The InChIKey is JBCVBPKOKYBHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O4S/c1-3-12(5-4-10-2)17(15,16)11-6-7(9)8(13)14/h7,10-11H,3-6,9H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-3-[[ethyl-[2-(methylamino)ethyl]sulfamoyl]amino]propanoic acid?
2-amino-3-[[ethyl-[2-(methylamino)ethyl]sulfamoyl]amino]propanoic acid has a molecular weight of 268.34 g/mol, XLogP of -2.23, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[ethyl-[2-(methylamino)ethyl]sulfamoyl]amino]propanoic acid is sourced from PubChem (CID 155056488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).