3-[tert-butylsulfamoyl(ethyl)amino]propanoic acid

C9H20N2O4S — CID 114805730

IUPAC3-[tert-butylsulfamoyl(ethyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H20N2O4S/c1-5-11(7-6-8(12)13)16(14,15)10-9(2,3)4/h10H,5-7H2,1-4H3,(H,12,13)
InChIKeyPQTQWWRBSPWIIR-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.42
Rot. Bonds6

About 3-[tert-butylsulfamoyl(ethyl)amino]propanoic acid

3-[tert-butylsulfamoyl(ethyl)amino]propanoic acid (PubChem CID 114805730) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-[tert-butylsulfamoyl(ethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butylsulfamoyl(ethyl)amino]propanoic acid
PubChem CID114805730
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name3-[tert-butylsulfamoyl(ethyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H20N2O4S/c1-5-11(7-6-8(12)13)16(14,15)10-9(2,3)4/h10H,5-7H2,1-4H3,(H,12,13)
InChIKeyPQTQWWRBSPWIIR-UHFFFAOYSA-N
XLogP0.42
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(methylsulfonyl)amino]propanoic acid
CID 39239435
3-[ethyl(methoxycarbonylsulfamoyl)amino]propanoic acid
CID 114462295
3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid
CID 114814475
2-[tert-butylsulfamoyl(propan-2-yl)amino]acetic acid
CID 114805577
6-(dipropylsulfamoylamino)-4,4-dimethylhexanoic acid
CID 65285119
3-[tert-butylsulfamoyl(2-methylpropyl)amino]propanethioamide
CID 114808235
3-[3-(diethylamino)propyl-methylsulfonylamino]propanoic acid
CID 82326345
methyl 3-[ethyl(methylsulfamoyl)amino]propanoate
CID 114811511
3-[tert-butyl(propan-2-ylsulfamoyl)amino]propanoic acid
CID 114805657
3-[ethyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 61007490
3-[(1-amino-2-methyl-1-oxobutan-2-yl)sulfamoyl-methylamino]propanoic acid
CID 112737995
2-[[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]amino]-2-methylpropane
CID 107483602

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butylsulfamoyl(ethyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butylsulfamoyl(ethyl)amino]propanoic acid (CID 114805730) is 3-[tert-butylsulfamoyl(ethyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butylsulfamoyl(ethyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butylsulfamoyl(ethyl)amino]propanoic acid is CCN(CCC(=O)O)S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 3-[tert-butylsulfamoyl(ethyl)amino]propanoic acid?
The InChIKey is PQTQWWRBSPWIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-5-11(7-6-8(12)13)16(14,15)10-9(2,3)4/h10H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 3-[tert-butylsulfamoyl(ethyl)amino]propanoic acid?
3-[tert-butylsulfamoyl(ethyl)amino]propanoic acid has a molecular weight of 252.34 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butylsulfamoyl(ethyl)amino]propanoic acid is sourced from PubChem (CID 114805730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).