ethyl 2-[[2-(methanesulfonamido)acetyl]amino]acetate

C7H14N2O5S — CID 47892396

IUPACethyl 2-[[2-(methanesulfonamido)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CNS(C)(=O)=O
InChIInChI=1S/C7H14N2O5S/c1-3-14-7(11)5-8-6(10)4-9-15(2,12)13/h9H,3-5H2,1-2H3,(H,8,10)
InChIKeyMXDPAFORIXKUGA-UHFFFAOYSA-N
MW238.26 g/mol
LogP-1.79
Rot. Bonds6

About ethyl 2-[[2-(methanesulfonamido)acetyl]amino]acetate

ethyl 2-[[2-(methanesulfonamido)acetyl]amino]acetate (PubChem CID 47892396) has the molecular formula C7H14N2O5S and a molecular weight of 238.26 g/mol. Its IUPAC name is ethyl 2-[[2-(methanesulfonamido)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(methanesulfonamido)acetyl]amino]acetate
PubChem CID47892396
Molecular FormulaC7H14N2O5S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Nameethyl 2-[[2-(methanesulfonamido)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CNS(C)(=O)=O
InChIInChI=1S/C7H14N2O5S/c1-3-14-7(11)5-8-6(10)4-9-15(2,12)13/h9H,3-5H2,1-2H3,(H,8,10)
InChIKeyMXDPAFORIXKUGA-UHFFFAOYSA-N
XLogP-1.79
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetate
CID 14991439
Ethyl 2-[2-(4-methylsulfonylpiperazin-1-yl)ethylamino]-2-oxoacetate
CID 45505510
2-[[2-(Methylamino)-2-oxoethyl]-methylsulfonylamino]acetic acid
CID 20806668
Methyl 2-acetamido-3-(methanesulfonamido)propanoate
CID 123707802
2-[(2-Oxo-1,3-oxazolidin-3-yl)sulfonylmethylamino]acetamide
CID 155056422
N-(2-methoxyethyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464363
N-[(2R)-1-methoxypropan-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464719
N-[(2S)-1-methoxypropan-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464721
2-[methyl(methylsulfonyl)amino]-N-(2-morpholin-4-ylethyl)acetamide
CID 30464723
2-[[2-(Methanesulfonamido)acetyl]amino]acetic acid
CID 43386638
Ethyl 2-[2-(methanesulfonamido)ethylamino]acetate
CID 43546003
Methyl 2-[2-(methanesulfonamido)ethylamino]acetate
CID 43546004

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(methanesulfonamido)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(methanesulfonamido)acetyl]amino]acetate (CID 47892396) is ethyl 2-[[2-(methanesulfonamido)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(methanesulfonamido)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(methanesulfonamido)acetyl]amino]acetate is CCOC(=O)CNC(=O)CNS(C)(=O)=O.
What is the InChIKey of ethyl 2-[[2-(methanesulfonamido)acetyl]amino]acetate?
The InChIKey is MXDPAFORIXKUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5S/c1-3-14-7(11)5-8-6(10)4-9-15(2,12)13/h9H,3-5H2,1-2H3,(H,8,10).
What are the key properties of ethyl 2-[[2-(methanesulfonamido)acetyl]amino]acetate?
ethyl 2-[[2-(methanesulfonamido)acetyl]amino]acetate has a molecular weight of 238.26 g/mol, XLogP of -1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(methanesulfonamido)acetyl]amino]acetate is sourced from PubChem (CID 47892396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).