2-(2-aminoethylsulfonylamino)acetic acid

C4H10N2O4S — CID 20596816

IUPAC2-(2-aminoethylsulfonylamino)acetic acid
SMILESNCCS(=O)(=O)NCC(=O)O
InChIInChI=1S/C4H10N2O4S/c5-1-2-11(9,10)6-3-4(7)8/h6H,1-3,5H2,(H,7,8)
InChIKeyBFZWUPGDJMMXOB-UHFFFAOYSA-N
MW182.20 g/mol
LogP-2.05
Rot. Bonds5

About 2-(2-aminoethylsulfonylamino)acetic acid

2-(2-aminoethylsulfonylamino)acetic acid (PubChem CID 20596816) has the molecular formula C4H10N2O4S and a molecular weight of 182.20 g/mol. Its IUPAC name is 2-(2-aminoethylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-(2-aminoethylsulfonylamino)acetic acid
PubChem CID20596816
Molecular FormulaC4H10N2O4S
Molecular Weight182.20 g/mol
Exact Mass182.04
IUPAC Name2-(2-aminoethylsulfonylamino)acetic acid
SMILESNCCS(=O)(=O)NCC(=O)O
InChIInChI=1S/C4H10N2O4S/c5-1-2-11(9,10)6-3-4(7)8/h6H,1-3,5H2,(H,7,8)
InChIKeyBFZWUPGDJMMXOB-UHFFFAOYSA-N
XLogP-2.05
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 5-2.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfonylamino)acetic acid?
The IUPAC name of 2-(2-aminoethylsulfonylamino)acetic acid (CID 20596816) is 2-(2-aminoethylsulfonylamino)acetic acid.
What is the SMILES notation for 2-(2-aminoethylsulfonylamino)acetic acid?
The canonical SMILES for 2-(2-aminoethylsulfonylamino)acetic acid is NCCS(=O)(=O)NCC(=O)O.
What is the InChIKey of 2-(2-aminoethylsulfonylamino)acetic acid?
The InChIKey is BFZWUPGDJMMXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O4S/c5-1-2-11(9,10)6-3-4(7)8/h6H,1-3,5H2,(H,7,8).
What are the key properties of 2-(2-aminoethylsulfonylamino)acetic acid?
2-(2-aminoethylsulfonylamino)acetic acid has a molecular weight of 182.20 g/mol, XLogP of -2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfonylamino)acetic acid is sourced from PubChem (CID 20596816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).