3-(2-carbamoylazetidin-1-yl)sulfonylpropanoic acid

C7H12N2O5S — CID 165493041

IUPAC3-(2-carbamoylazetidin-1-yl)sulfonylpropanoic acid
SMILESNC(=O)C1CCN1S(=O)(=O)CCC(=O)O
InChIInChI=1S/C7H12N2O5S/c8-7(12)5-1-3-9(5)15(13,14)4-2-6(10)11/h5H,1-4H2,(H2,8,12)(H,10,11)
InChIKeyRBNSPRCAUQZRLI-UHFFFAOYSA-N
MW236.25 g/mol
LogP-1.65
Rot. Bonds5

About 3-(2-carbamoylazetidin-1-yl)sulfonylpropanoic acid

3-(2-carbamoylazetidin-1-yl)sulfonylpropanoic acid (PubChem CID 165493041) has the molecular formula C7H12N2O5S and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-(2-carbamoylazetidin-1-yl)sulfonylpropanoic acid.

Molecular Properties

Compound Name3-(2-carbamoylazetidin-1-yl)sulfonylpropanoic acid
PubChem CID165493041
Molecular FormulaC7H12N2O5S
Molecular Weight236.25 g/mol
Exact Mass236.05
IUPAC Name3-(2-carbamoylazetidin-1-yl)sulfonylpropanoic acid
SMILESNC(=O)C1CCN1S(=O)(=O)CCC(=O)O
InChIInChI=1S/C7H12N2O5S/c8-7(12)5-1-3-9(5)15(13,14)4-2-6(10)11/h5H,1-4H2,(H2,8,12)(H,10,11)
InChIKeyRBNSPRCAUQZRLI-UHFFFAOYSA-N
XLogP-1.65
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-carbamoylazetidin-1-yl)sulfonylpropanoic acid?
The IUPAC name of 3-(2-carbamoylazetidin-1-yl)sulfonylpropanoic acid (CID 165493041) is 3-(2-carbamoylazetidin-1-yl)sulfonylpropanoic acid.
What is the SMILES notation for 3-(2-carbamoylazetidin-1-yl)sulfonylpropanoic acid?
The canonical SMILES for 3-(2-carbamoylazetidin-1-yl)sulfonylpropanoic acid is NC(=O)C1CCN1S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-(2-carbamoylazetidin-1-yl)sulfonylpropanoic acid?
The InChIKey is RBNSPRCAUQZRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O5S/c8-7(12)5-1-3-9(5)15(13,14)4-2-6(10)11/h5H,1-4H2,(H2,8,12)(H,10,11).
What are the key properties of 3-(2-carbamoylazetidin-1-yl)sulfonylpropanoic acid?
3-(2-carbamoylazetidin-1-yl)sulfonylpropanoic acid has a molecular weight of 236.25 g/mol, XLogP of -1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carbamoylazetidin-1-yl)sulfonylpropanoic acid is sourced from PubChem (CID 165493041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).