3-(2-aminoethylsulfonylamino)propanoic acid

C5H12N2O4S — CID 18781673

IUPAC3-(2-aminoethylsulfonylamino)propanoic acid
SMILESNCCS(=O)(=O)NCCC(=O)O
InChIInChI=1S/C5H12N2O4S/c6-2-4-12(10,11)7-3-1-5(8)9/h7H,1-4,6H2,(H,8,9)
InChIKeyYVPWIBUDYXOLPV-UHFFFAOYSA-N
MW196.23 g/mol
LogP-1.66
Rot. Bonds6

About 3-(2-aminoethylsulfonylamino)propanoic acid

3-(2-aminoethylsulfonylamino)propanoic acid (PubChem CID 18781673) has the molecular formula C5H12N2O4S and a molecular weight of 196.23 g/mol. Its IUPAC name is 3-(2-aminoethylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-aminoethylsulfonylamino)propanoic acid
PubChem CID18781673
Molecular FormulaC5H12N2O4S
Molecular Weight196.23 g/mol
Exact Mass196.05
IUPAC Name3-(2-aminoethylsulfonylamino)propanoic acid
SMILESNCCS(=O)(=O)NCCC(=O)O
InChIInChI=1S/C5H12N2O4S/c6-2-4-12(10,11)7-3-1-5(8)9/h7H,1-4,6H2,(H,8,9)
InChIKeyYVPWIBUDYXOLPV-UHFFFAOYSA-N
XLogP-1.66
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylsulfonylamino)propanoic acid?
The IUPAC name of 3-(2-aminoethylsulfonylamino)propanoic acid (CID 18781673) is 3-(2-aminoethylsulfonylamino)propanoic acid.
What is the SMILES notation for 3-(2-aminoethylsulfonylamino)propanoic acid?
The canonical SMILES for 3-(2-aminoethylsulfonylamino)propanoic acid is NCCS(=O)(=O)NCCC(=O)O.
What is the InChIKey of 3-(2-aminoethylsulfonylamino)propanoic acid?
The InChIKey is YVPWIBUDYXOLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O4S/c6-2-4-12(10,11)7-3-1-5(8)9/h7H,1-4,6H2,(H,8,9).
What are the key properties of 3-(2-aminoethylsulfonylamino)propanoic acid?
3-(2-aminoethylsulfonylamino)propanoic acid has a molecular weight of 196.23 g/mol, XLogP of -1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylsulfonylamino)propanoic acid is sourced from PubChem (CID 18781673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).