2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]acetic acid

C9H18N2O6S — CID 114518058

IUPAC2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]acetic acid
SMILESCC(C)(C)OC(=O)NCCNS(=O)(=O)CC(=O)O
InChIInChI=1S/C9H18N2O6S/c1-9(2,3)17-8(14)10-4-5-11-18(15,16)6-7(12)13/h11H,4-6H2,1-3H3,(H,10,14)(H,12,13)
InChIKeyLTUDAPFPUQHGPI-UHFFFAOYSA-N
MW282.32 g/mol
LogP-0.48
Rot. Bonds6

About 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]acetic acid

2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]acetic acid (PubChem CID 114518058) has the molecular formula C9H18N2O6S and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]acetic acid
PubChem CID114518058
Molecular FormulaC9H18N2O6S
Molecular Weight282.32 g/mol
Exact Mass282.09
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]acetic acid
SMILESCC(C)(C)OC(=O)NCCNS(=O)(=O)CC(=O)O
InChIInChI=1S/C9H18N2O6S/c1-9(2,3)17-8(14)10-4-5-11-18(15,16)6-7(12)13/h11H,4-6H2,1-3H3,(H,10,14)(H,12,13)
InChIKeyLTUDAPFPUQHGPI-UHFFFAOYSA-N
XLogP-0.48
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]propanoic acid
CID 114518059
tert-butyl N-[2-(sulfamoylamino)ethyl]carbamate
CID 86657941
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylsulfamoyl]propanoic acid
CID 114518054
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylsulfamoyl]butanoic acid
CID 114518052
3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen
CID 143124264
tert-butyl N-[4-(2-trimethylsilylethylsulfonylamino)butyl]carbamate
CID 10665725
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanesulfonic acid;hydrochloride
CID 165179141
tert-butyl N-(3-hydroxypent-3-enyl)carbamate
CID 118047416
6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-6-oxohexanoic acid
CID 114518044
2-[(2-ethoxy-2-methylpropyl)sulfamoyl]acetic acid
CID 114940667
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butylsulfamoyl]acetate
CID 10648462
tert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen
CID 144504271

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]acetic acid?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]acetic acid (CID 114518058) is 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]acetic acid?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]acetic acid is CC(C)(C)OC(=O)NCCNS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]acetic acid?
The InChIKey is LTUDAPFPUQHGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O6S/c1-9(2,3)17-8(14)10-4-5-11-18(15,16)6-7(12)13/h11H,4-6H2,1-3H3,(H,10,14)(H,12,13).
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]acetic acid?
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]acetic acid has a molecular weight of 282.32 g/mol, XLogP of -0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]acetic acid is sourced from PubChem (CID 114518058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).