methyl 2-[amino(methylsulfonyl)amino]acetate

C4H10N2O4S — CID 123175216

IUPACmethyl 2-[amino(methylsulfonyl)amino]acetate
SMILESCOC(=O)CN(N)S(C)(=O)=O
InChIInChI=1S/C4H10N2O4S/c1-10-4(7)3-6(5)11(2,8)9/h3,5H2,1-2H3
InChIKeyKHTOJXOBCXQBRI-UHFFFAOYSA-N
MW182.20 g/mol
LogP-1.71
Rot. Bonds3

About methyl 2-[amino(methylsulfonyl)amino]acetate

methyl 2-[amino(methylsulfonyl)amino]acetate (PubChem CID 123175216) has the molecular formula C4H10N2O4S and a molecular weight of 182.20 g/mol. Its IUPAC name is methyl 2-[amino(methylsulfonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[amino(methylsulfonyl)amino]acetate
PubChem CID123175216
Molecular FormulaC4H10N2O4S
Molecular Weight182.20 g/mol
Exact Mass182.04
IUPAC Namemethyl 2-[amino(methylsulfonyl)amino]acetate
SMILESCOC(=O)CN(N)S(C)(=O)=O
InChIInChI=1S/C4H10N2O4S/c1-10-4(7)3-6(5)11(2,8)9/h3,5H2,1-2H3
InChIKeyKHTOJXOBCXQBRI-UHFFFAOYSA-N
XLogP-1.71
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 5-1.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 90025602
methyl 2-[bis(2-amino-2-oxoethyl)amino]acetate
CID 62921537
dimethyl propanedioate;methanesulfonic acid
CID 172769091
methyl 2-[propan-2-yl(sulfamoyl)amino]acetate
CID 61074091
methyl 2-[methanidyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 123211502
methyl 2-[ethyl(methylsulfamoyl)amino]acetate
CID 114811545
methyl 2-[amino(propyl)amino]acetate
CID 123689793
methyl 2-bromoacetate
CID 10487067
methyl 2-[methyl(2-methylsulfonylethylsulfonyl)amino]acetate
CID 63242882
methyl 2-[(2-methoxy-2-oxoethyl)-(3-methylsulfonylpropanoyl)amino]acetate
CID 62954646
methyl 2-[2-chloroethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 139666753
methyl 2-[(2-methoxy-2-oxoethyl)-(2-propan-2-ylsulfonylethyl)amino]acetate
CID 103734576

Frequently Asked Questions

What is the IUPAC name of methyl 2-[amino(methylsulfonyl)amino]acetate?
The IUPAC name of methyl 2-[amino(methylsulfonyl)amino]acetate (CID 123175216) is methyl 2-[amino(methylsulfonyl)amino]acetate.
What is the SMILES notation for methyl 2-[amino(methylsulfonyl)amino]acetate?
The canonical SMILES for methyl 2-[amino(methylsulfonyl)amino]acetate is COC(=O)CN(N)S(C)(=O)=O.
What is the InChIKey of methyl 2-[amino(methylsulfonyl)amino]acetate?
The InChIKey is KHTOJXOBCXQBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O4S/c1-10-4(7)3-6(5)11(2,8)9/h3,5H2,1-2H3.
What are the key properties of methyl 2-[amino(methylsulfonyl)amino]acetate?
methyl 2-[amino(methylsulfonyl)amino]acetate has a molecular weight of 182.20 g/mol, XLogP of -1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[amino(methylsulfonyl)amino]acetate is sourced from PubChem (CID 123175216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).