2-[2-(methanesulfonamido)ethylamino]-2-oxoacetic acid

C5H10N2O5S — CID 43546341

IUPAC2-[2-(methanesulfonamido)ethylamino]-2-oxoacetic acid
SMILESCS(=O)(=O)NCCNC(=O)C(=O)O
InChIInChI=1S/C5H10N2O5S/c1-13(11,12)7-3-2-6-4(8)5(9)10/h7H,2-3H2,1H3,(H,6,8)(H,9,10)
InChIKeyLLEJDOKRKGHKTE-UHFFFAOYSA-N
MW210.21 g/mol
LogP-2.26
Rot. Bonds4

About 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetic acid

2-[2-(methanesulfonamido)ethylamino]-2-oxoacetic acid (PubChem CID 43546341) has the molecular formula C5H10N2O5S and a molecular weight of 210.21 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)ethylamino]-2-oxoacetic acid
PubChem CID43546341
Molecular FormulaC5H10N2O5S
Molecular Weight210.21 g/mol
Exact Mass210.03
IUPAC Name2-[2-(methanesulfonamido)ethylamino]-2-oxoacetic acid
SMILESCS(=O)(=O)NCCNC(=O)C(=O)O
InChIInChI=1S/C5H10N2O5S/c1-13(11,12)7-3-2-6-4(8)5(9)10/h7H,2-3H2,1H3,(H,6,8)(H,9,10)
InChIKeyLLEJDOKRKGHKTE-UHFFFAOYSA-N
XLogP-2.26
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 5-2.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetic acid?
The IUPAC name of 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetic acid (CID 43546341) is 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetic acid.
What is the SMILES notation for 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetic acid?
The canonical SMILES for 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetic acid is CS(=O)(=O)NCCNC(=O)C(=O)O.
What is the InChIKey of 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetic acid?
The InChIKey is LLEJDOKRKGHKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O5S/c1-13(11,12)7-3-2-6-4(8)5(9)10/h7H,2-3H2,1H3,(H,6,8)(H,9,10).
What are the key properties of 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetic acid?
2-[2-(methanesulfonamido)ethylamino]-2-oxoacetic acid has a molecular weight of 210.21 g/mol, XLogP of -2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetic acid is sourced from PubChem (CID 43546341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).