2-[1-(tert-butylsulfamoyl)azetidin-3-yl]acetic acid

C9H18N2O4S — CID 114806336

IUPAC2-[1-(tert-butylsulfamoyl)azetidin-3-yl]acetic acid
SMILESCC(C)(C)NS(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C9H18N2O4S/c1-9(2,3)10-16(14,15)11-5-7(6-11)4-8(12)13/h7,10H,4-6H2,1-3H3,(H,12,13)
InChIKeyWLAWHKGITURBSA-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.03
Rot. Bonds4

About 2-[1-(tert-butylsulfamoyl)azetidin-3-yl]acetic acid

2-[1-(tert-butylsulfamoyl)azetidin-3-yl]acetic acid (PubChem CID 114806336) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[1-(tert-butylsulfamoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(tert-butylsulfamoyl)azetidin-3-yl]acetic acid
PubChem CID114806336
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name2-[1-(tert-butylsulfamoyl)azetidin-3-yl]acetic acid
SMILESCC(C)(C)NS(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C9H18N2O4S/c1-9(2,3)10-16(14,15)11-5-7(6-11)4-8(12)13/h7,10H,4-6H2,1-3H3,(H,12,13)
InChIKeyWLAWHKGITURBSA-UHFFFAOYSA-N
XLogP0.03
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[Butyl(methyl)sulfamoyl]amino]-4-methylpentanoic acid
CID 62043974
2-[1-[Methyl(propan-2-yl)sulfamoyl]azetidin-3-yl]acetic acid
CID 64617023
2-[1-(Dimethylsulfamoyl)azetidin-3-yl]acetic acid
CID 64617435
2-[1-(Diethylsulfamoyl)azetidin-3-yl]acetic acid
CID 64618429
2-[1-[Butyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid
CID 64619012
2-[1-(Dipropylsulfamoyl)azetidin-3-yl]acetic acid
CID 64619020
3-[[Butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
CID 64671371
2-[[Butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid
CID 79793305
2-Methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 80540254
4-(Dimethylsulfamoylamino)-2-methylbutanoic acid
CID 80540276
4-(Dipropylsulfamoylamino)-2-methylbutanoic acid
CID 80540285
4-[[Butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid
CID 80540305

Frequently Asked Questions

What is the IUPAC name of 2-[1-(tert-butylsulfamoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(tert-butylsulfamoyl)azetidin-3-yl]acetic acid (CID 114806336) is 2-[1-(tert-butylsulfamoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(tert-butylsulfamoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(tert-butylsulfamoyl)azetidin-3-yl]acetic acid is CC(C)(C)NS(=O)(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(tert-butylsulfamoyl)azetidin-3-yl]acetic acid?
The InChIKey is WLAWHKGITURBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-9(2,3)10-16(14,15)11-5-7(6-11)4-8(12)13/h7,10H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-[1-(tert-butylsulfamoyl)azetidin-3-yl]acetic acid?
2-[1-(tert-butylsulfamoyl)azetidin-3-yl]acetic acid has a molecular weight of 250.32 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(tert-butylsulfamoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 114806336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).