2-[[2-[(2-ethoxy-2-oxoethyl)sulfonylamino]acetyl]amino]acetic acid

C8H14N2O7S — CID 54952363

IUPAC2-[[2-[(2-ethoxy-2-oxoethyl)sulfonylamino]acetyl]amino]acetic acid
SMILESCCOC(=O)CS(=O)(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C8H14N2O7S/c1-2-17-8(14)5-18(15,16)10-3-6(11)9-4-7(12)13/h10H,2-5H2,1H3,(H,9,11)(H,12,13)
InChIKeyBNGKFLOIYXKOCF-UHFFFAOYSA-N
MW282.27 g/mol
LogP-2.33
Rot. Bonds8

About 2-[[2-[(2-ethoxy-2-oxoethyl)sulfonylamino]acetyl]amino]acetic acid

2-[[2-[(2-ethoxy-2-oxoethyl)sulfonylamino]acetyl]amino]acetic acid (PubChem CID 54952363) has the molecular formula C8H14N2O7S and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-[[2-[(2-ethoxy-2-oxoethyl)sulfonylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-ethoxy-2-oxoethyl)sulfonylamino]acetyl]amino]acetic acid
PubChem CID54952363
Molecular FormulaC8H14N2O7S
Molecular Weight282.27 g/mol
Exact Mass282.05
IUPAC Name2-[[2-[(2-ethoxy-2-oxoethyl)sulfonylamino]acetyl]amino]acetic acid
SMILESCCOC(=O)CS(=O)(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C8H14N2O7S/c1-2-17-8(14)5-18(15,16)10-3-6(11)9-4-7(12)13/h10H,2-5H2,1H3,(H,9,11)(H,12,13)
InChIKeyBNGKFLOIYXKOCF-UHFFFAOYSA-N
XLogP-2.33
TPSA138.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 5-2.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(2-ethoxy-2-oxoethyl)sulfonylamino]acetyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(1-Fluoroethylsulfonylmethoxycarbonylamino)acetyl]amino]acetic acid
CID 88501868
2-[2-Acetamidoethyl-[2-(2,2,2-trifluoroethoxy)ethylsulfonyl]amino]propanoic acid
CID 122071225
2-[[2-(Methylamino)-2-oxoethyl]-methylsulfonylamino]acetic acid
CID 20806668
2-[[2-(Pentylsulfonylamino)acetyl]amino]acetic acid
CID 88055904
2-[3-Aminopropylsulfonyl-[2-(oxomethylamino)ethyl]amino]acetic acid;fermium
CID 145667791
2-[(2-Aminoacetyl)amino]acetic acid;2-morpholin-4-ylethanesulfonic acid
CID 160437142
2-[2-[Bis(carboxymethyl)amino]ethyl-[2-(2-methoxysulfonothioylethylamino)-2-oxoethyl]amino]acetic acid
CID 5074888
2-[Methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid
CID 43375017
2-[[2-(Methanesulfonamido)acetyl]amino]acetic acid
CID 43386638
2-[[2-(Propylsulfonylamino)acetyl]amino]acetic acid
CID 43386643
2-[[2-(Butylsulfonylamino)acetyl]amino]acetic acid
CID 43386661
2-[[2-(Ethylsulfonylamino)acetyl]amino]acetic acid
CID 43386870

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-ethoxy-2-oxoethyl)sulfonylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2-ethoxy-2-oxoethyl)sulfonylamino]acetyl]amino]acetic acid (CID 54952363) is 2-[[2-[(2-ethoxy-2-oxoethyl)sulfonylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-ethoxy-2-oxoethyl)sulfonylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2-ethoxy-2-oxoethyl)sulfonylamino]acetyl]amino]acetic acid is CCOC(=O)CS(=O)(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[(2-ethoxy-2-oxoethyl)sulfonylamino]acetyl]amino]acetic acid?
The InChIKey is BNGKFLOIYXKOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O7S/c1-2-17-8(14)5-18(15,16)10-3-6(11)9-4-7(12)13/h10H,2-5H2,1H3,(H,9,11)(H,12,13).
What are the key properties of 2-[[2-[(2-ethoxy-2-oxoethyl)sulfonylamino]acetyl]amino]acetic acid?
2-[[2-[(2-ethoxy-2-oxoethyl)sulfonylamino]acetyl]amino]acetic acid has a molecular weight of 282.27 g/mol, XLogP of -2.33, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-ethoxy-2-oxoethyl)sulfonylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 54952363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).