2-[tert-butylsulfamoyl(propan-2-yl)amino]acetic acid

C9H20N2O4S — CID 114805577

IUPAC2-[tert-butylsulfamoyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H20N2O4S/c1-7(2)11(6-8(12)13)16(14,15)10-9(3,4)5/h7,10H,6H2,1-5H3,(H,12,13)
InChIKeyGMWHVRJJFRZWFN-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.41
Rot. Bonds5

About 2-[tert-butylsulfamoyl(propan-2-yl)amino]acetic acid

2-[tert-butylsulfamoyl(propan-2-yl)amino]acetic acid (PubChem CID 114805577) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-[tert-butylsulfamoyl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butylsulfamoyl(propan-2-yl)amino]acetic acid
PubChem CID114805577
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name2-[tert-butylsulfamoyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H20N2O4S/c1-7(2)11(6-8(12)13)16(14,15)10-9(3,4)5/h7,10H,6H2,1-5H3,(H,12,13)
InChIKeyGMWHVRJJFRZWFN-UHFFFAOYSA-N
XLogP0.41
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[difluoromethylsulfonyl(propan-2-yl)amino]acetic acid
CID 60828476
2-[butan-2-yl(methylsulfamoyl)amino]acetic acid
CID 114805560
3-[tert-butylsulfamoyl(ethyl)amino]propanoic acid
CID 114805730
2-[carboxymethyl(propan-2-ylsulfamoyl)amino]acetic acid
CID 114806125
2-[cyclopentylsulfonyl(propan-2-yl)amino]acetic acid
CID 105360726
2-[tert-butyl(propan-2-ylsulfonyl)amino]acetic acid
CID 79268548
2-[(5-chloro-2-methylphenyl)sulfonyl-propan-2-ylamino]acetic acid
CID 60828649
2-[(3-methoxy-2-methylpropyl)sulfonyl-propan-2-ylamino]acetic acid
CID 122072137
2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid
CID 114462664
2-[tert-butylsulfonyl(2-methylpropyl)amino]acetic acid
CID 63689160
2-[2-methylpropyl(trifluoromethylsulfonyl)amino]acetic acid
CID 63066774
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid
CID 63645143

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butylsulfamoyl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[tert-butylsulfamoyl(propan-2-yl)amino]acetic acid (CID 114805577) is 2-[tert-butylsulfamoyl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butylsulfamoyl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[tert-butylsulfamoyl(propan-2-yl)amino]acetic acid is CC(C)N(CC(=O)O)S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 2-[tert-butylsulfamoyl(propan-2-yl)amino]acetic acid?
The InChIKey is GMWHVRJJFRZWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-7(2)11(6-8(12)13)16(14,15)10-9(3,4)5/h7,10H,6H2,1-5H3,(H,12,13).
What are the key properties of 2-[tert-butylsulfamoyl(propan-2-yl)amino]acetic acid?
2-[tert-butylsulfamoyl(propan-2-yl)amino]acetic acid has a molecular weight of 252.34 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butylsulfamoyl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 114805577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).