2-[1-[methyl(propan-2-yl)sulfamoyl]azetidin-3-yl]acetic acid

C9H18N2O4S — CID 64617023

IUPAC2-[1-[methyl(propan-2-yl)sulfamoyl]azetidin-3-yl]acetic acid
SMILESCC(C)N(C)S(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C9H18N2O4S/c1-7(2)10(3)16(14,15)11-5-8(6-11)4-9(12)13/h7-8H,4-6H2,1-3H3,(H,12,13)
InChIKeyZHZBEKDHILWOPY-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.02
Rot. Bonds5

About 2-[1-[methyl(propan-2-yl)sulfamoyl]azetidin-3-yl]acetic acid

2-[1-[methyl(propan-2-yl)sulfamoyl]azetidin-3-yl]acetic acid (PubChem CID 64617023) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[1-[methyl(propan-2-yl)sulfamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl(propan-2-yl)sulfamoyl]azetidin-3-yl]acetic acid
PubChem CID64617023
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name2-[1-[methyl(propan-2-yl)sulfamoyl]azetidin-3-yl]acetic acid
SMILESCC(C)N(C)S(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C9H18N2O4S/c1-7(2)10(3)16(14,15)11-5-8(6-11)4-9(12)13/h7-8H,4-6H2,1-3H3,(H,12,13)
InChIKeyZHZBEKDHILWOPY-UHFFFAOYSA-N
XLogP-0.02
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[Methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]butanoic acid
CID 54947353
4-[Diethylsulfamoyl(propan-2-yl)amino]butanoic acid
CID 60827636
4-[Dimethylsulfamoyl(propan-2-yl)amino]butanoic acid
CID 60827956
4-[Dipropylsulfamoyl(propan-2-yl)amino]butanoic acid
CID 60827958
4-[[Butyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid
CID 60828129
4-[Methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 61455731
2-[1-[Cyclohexyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid
CID 64616223
2-(1-Tert-butylsulfonylazetidin-3-yl)acetic acid
CID 64616611
2-[1-(Dimethylsulfamoyl)azetidin-3-yl]acetic acid
CID 64617435
2-[1-(Diethylsulfamoyl)azetidin-3-yl]acetic acid
CID 64618429
2-(1-Pyrrolidin-1-ylsulfonylazetidin-3-yl)acetic acid
CID 64618622
2-[1-(2-Methylpiperidin-1-yl)sulfonylazetidin-3-yl]acetic acid
CID 64618624

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl(propan-2-yl)sulfamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[methyl(propan-2-yl)sulfamoyl]azetidin-3-yl]acetic acid (CID 64617023) is 2-[1-[methyl(propan-2-yl)sulfamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[methyl(propan-2-yl)sulfamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[methyl(propan-2-yl)sulfamoyl]azetidin-3-yl]acetic acid is CC(C)N(C)S(=O)(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[methyl(propan-2-yl)sulfamoyl]azetidin-3-yl]acetic acid?
The InChIKey is ZHZBEKDHILWOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-7(2)10(3)16(14,15)11-5-8(6-11)4-9(12)13/h7-8H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-[1-[methyl(propan-2-yl)sulfamoyl]azetidin-3-yl]acetic acid?
2-[1-[methyl(propan-2-yl)sulfamoyl]azetidin-3-yl]acetic acid has a molecular weight of 250.32 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(propan-2-yl)sulfamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64617023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).