2-[tert-butyl(propan-2-ylsulfonyl)amino]acetic acid

C9H19NO4S — CID 79268548

IUPAC2-[tert-butyl(propan-2-ylsulfonyl)amino]acetic acid
SMILESCC(C)S(=O)(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C9H19NO4S/c1-7(2)15(13,14)10(6-8(11)12)9(3,4)5/h7H,6H2,1-5H3,(H,11,12)
InChIKeyXZWRFUNDKCRIEH-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.91
Rot. Bonds4

About 2-[tert-butyl(propan-2-ylsulfonyl)amino]acetic acid

2-[tert-butyl(propan-2-ylsulfonyl)amino]acetic acid (PubChem CID 79268548) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[tert-butyl(propan-2-ylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl(propan-2-ylsulfonyl)amino]acetic acid
PubChem CID79268548
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name2-[tert-butyl(propan-2-ylsulfonyl)amino]acetic acid
SMILESCC(C)S(=O)(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C9H19NO4S/c1-7(2)15(13,14)10(6-8(11)12)9(3,4)5/h7H,6H2,1-5H3,(H,11,12)
InChIKeyXZWRFUNDKCRIEH-UHFFFAOYSA-N
XLogP0.91
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butyl(3-methylbutylsulfonyl)amino]acetic acid
CID 79269437
2-[tert-butyl(2-ethoxyethylsulfonyl)amino]acetic acid
CID 79268992
3-[tert-butyl(difluoromethylsulfonyl)amino]propanoic acid
CID 60829147
2-[tert-butyl-(2,5-dichlorothiophen-3-yl)sulfonylamino]acetic acid
CID 79269352
3-[tert-butyl(propan-2-ylsulfamoyl)amino]propanoic acid
CID 114805657
2-[tert-butylsulfonyl(2-methylpropyl)amino]acetic acid
CID 63689160
2-[tert-butylsulfamoyl(propan-2-yl)amino]acetic acid
CID 114805577
2-[tert-butyl-(2,4,6-trichlorophenyl)sulfonylamino]acetic acid
CID 79262274
2-[tert-butyl-(3,5-dimethylpiperidin-1-yl)sulfonylamino]acetic acid
CID 79268450
2-[tert-butyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid
CID 19965196
2-[tert-butyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 79269029
2-[(3-amino-2-methylpropanoyl)-tert-butylamino]acetic acid
CID 79268237

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(propan-2-ylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl(propan-2-ylsulfonyl)amino]acetic acid (CID 79268548) is 2-[tert-butyl(propan-2-ylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl(propan-2-ylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl(propan-2-ylsulfonyl)amino]acetic acid is CC(C)S(=O)(=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(propan-2-ylsulfonyl)amino]acetic acid?
The InChIKey is XZWRFUNDKCRIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-7(2)15(13,14)10(6-8(11)12)9(3,4)5/h7H,6H2,1-5H3,(H,11,12).
What are the key properties of 2-[tert-butyl(propan-2-ylsulfonyl)amino]acetic acid?
2-[tert-butyl(propan-2-ylsulfonyl)amino]acetic acid has a molecular weight of 237.32 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(propan-2-ylsulfonyl)amino]acetic acid is sourced from PubChem (CID 79268548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).