2-[(2-amino-2-oxoethyl)-methylsulfonylamino]acetic acid

C5H10N2O5S — CID 107435811

IUPAC2-[(2-amino-2-oxoethyl)-methylsulfonylamino]acetic acid
SMILESCS(=O)(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C5H10N2O5S/c1-13(11,12)7(2-4(6)8)3-5(9)10/h2-3H2,1H3,(H2,6,8)(H,9,10)
InChIKeyILPDUWFENNBABP-UHFFFAOYSA-N
MW210.21 g/mol
LogP-2.18
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-methylsulfonylamino]acetic acid

2-[(2-amino-2-oxoethyl)-methylsulfonylamino]acetic acid (PubChem CID 107435811) has the molecular formula C5H10N2O5S and a molecular weight of 210.21 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-methylsulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-methylsulfonylamino]acetic acid
PubChem CID107435811
Molecular FormulaC5H10N2O5S
Molecular Weight210.21 g/mol
Exact Mass210.03
IUPAC Name2-[(2-amino-2-oxoethyl)-methylsulfonylamino]acetic acid
SMILESCS(=O)(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C5H10N2O5S/c1-13(11,12)7(2-4(6)8)3-5(9)10/h2-3H2,1H3,(H2,6,8)(H,9,10)
InChIKeyILPDUWFENNBABP-UHFFFAOYSA-N
XLogP-2.18
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 5-2.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-methylsulfonylamino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-methylsulfonylamino]acetic acid (CID 107435811) is 2-[(2-amino-2-oxoethyl)-methylsulfonylamino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-methylsulfonylamino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-methylsulfonylamino]acetic acid is CS(=O)(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-methylsulfonylamino]acetic acid?
The InChIKey is ILPDUWFENNBABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O5S/c1-13(11,12)7(2-4(6)8)3-5(9)10/h2-3H2,1H3,(H2,6,8)(H,9,10).
What are the key properties of 2-[(2-amino-2-oxoethyl)-methylsulfonylamino]acetic acid?
2-[(2-amino-2-oxoethyl)-methylsulfonylamino]acetic acid has a molecular weight of 210.21 g/mol, XLogP of -2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-methylsulfonylamino]acetic acid is sourced from PubChem (CID 107435811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).