2-[1-(propylsulfamoyl)azetidin-3-yl]propanoic acid

C9H18N2O4S — CID 114807126

IUPAC2-[1-(propylsulfamoyl)azetidin-3-yl]propanoic acid
SMILESCCCNS(=O)(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C9H18N2O4S/c1-3-4-10-16(14,15)11-5-8(6-11)7(2)9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyRTRVJFPBLZKYCE-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.12
Rot. Bonds6

About 2-[1-(propylsulfamoyl)azetidin-3-yl]propanoic acid

2-[1-(propylsulfamoyl)azetidin-3-yl]propanoic acid (PubChem CID 114807126) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[1-(propylsulfamoyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(propylsulfamoyl)azetidin-3-yl]propanoic acid
PubChem CID114807126
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name2-[1-(propylsulfamoyl)azetidin-3-yl]propanoic acid
SMILESCCCNS(=O)(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C9H18N2O4S/c1-3-4-10-16(14,15)11-5-8(6-11)7(2)9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyRTRVJFPBLZKYCE-UHFFFAOYSA-N
XLogP-0.12
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,2,2-Trifluoroethylsulfamoyl)azetidin-3-yl]propanoic acid
CID 114807128
4-[[Butyl(methyl)sulfamoyl]amino]butanoic acid
CID 43361166
4-(Dipropylsulfamoylamino)butanoic acid
CID 43361170
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
2-[(Dipropylsulfamoylamino)methyl]-3-methylbutanoic acid
CID 65220845
2-[[[Butyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid
CID 65220915
2-[(Dimethylsulfamoylamino)methyl]-3-methylbutanoic acid
CID 65221037
2-[[[Butyl(methyl)sulfamoyl]amino]methyl]butanoic acid
CID 65222978

Frequently Asked Questions

What is the IUPAC name of 2-[1-(propylsulfamoyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(propylsulfamoyl)azetidin-3-yl]propanoic acid (CID 114807126) is 2-[1-(propylsulfamoyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(propylsulfamoyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(propylsulfamoyl)azetidin-3-yl]propanoic acid is CCCNS(=O)(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-(propylsulfamoyl)azetidin-3-yl]propanoic acid?
The InChIKey is RTRVJFPBLZKYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-3-4-10-16(14,15)11-5-8(6-11)7(2)9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[1-(propylsulfamoyl)azetidin-3-yl]propanoic acid?
2-[1-(propylsulfamoyl)azetidin-3-yl]propanoic acid has a molecular weight of 250.32 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(propylsulfamoyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 114807126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).