methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoylamino]acetate

C8H17N3O6S — CID 10016675

IUPACmethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)NNC(=O)OC(C)(C)C
InChIInChI=1S/C8H17N3O6S/c1-8(2,3)17-7(13)10-11-18(14,15)9-5-6(12)16-4/h9,11H,5H2,1-4H3,(H,10,13)
InChIKeyGQFUKHSCRKGVDG-UHFFFAOYSA-N
MW283.31 g/mol
LogP-0.98
Rot. Bonds5

About methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoylamino]acetate

methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoylamino]acetate (PubChem CID 10016675) has the molecular formula C8H17N3O6S and a molecular weight of 283.31 g/mol. Its IUPAC name is methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoylamino]acetate
PubChem CID10016675
Molecular FormulaC8H17N3O6S
Molecular Weight283.31 g/mol
Exact Mass283.08
IUPAC Namemethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)NNC(=O)OC(C)(C)C
InChIInChI=1S/C8H17N3O6S/c1-8(2,3)17-7(13)10-11-18(14,15)9-5-6(12)16-4/h9,11H,5H2,1-4H3,(H,10,13)
InChIKeyGQFUKHSCRKGVDG-UHFFFAOYSA-N
XLogP-0.98
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
methyl 2-(2,2,2-trifluoroethylsulfamoylamino)acetate
CID 114811439
methyl 2-(methoxycarbonylamino)acetate
CID 14133519
tert-butyl N-(2-methoxyethylamino)carbamate
CID 87253859
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]acetate
CID 123437177
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11687095
tert-butyl N-[(2,3-dichlorophenyl)sulfonylamino]carbamate
CID 8500966
methyl 2-[(dimethylaminosulfonimidoyl)amino]acetate
CID 139026402
methyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]acetyl]amino]acetate
CID 134514742
tert-butyl N-(bromoamino)carbamate
CID 91402746
tert-butyl N-(1-ethylsulfonylpropan-2-ylamino)carbamate
CID 107237362
tert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate
CID 155097174

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoylamino]acetate?
The IUPAC name of methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoylamino]acetate (CID 10016675) is methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoylamino]acetate.
What is the SMILES notation for methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoylamino]acetate?
The canonical SMILES for methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoylamino]acetate is COC(=O)CNS(=O)(=O)NNC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoylamino]acetate?
The InChIKey is GQFUKHSCRKGVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O6S/c1-8(2,3)17-7(13)10-11-18(14,15)9-5-6(12)16-4/h9,11H,5H2,1-4H3,(H,10,13).
What are the key properties of methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoylamino]acetate?
methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoylamino]acetate has a molecular weight of 283.31 g/mol, XLogP of -0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoylamino]acetate is sourced from PubChem (CID 10016675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).