2-[1-(3-methoxy-3-oxopropyl)sulfonylazetidin-3-yl]acetic acid

C9H15NO6S — CID 64616613

IUPAC2-[1-(3-methoxy-3-oxopropyl)sulfonylazetidin-3-yl]acetic acid
SMILESCOC(=O)CCS(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C9H15NO6S/c1-16-9(13)2-3-17(14,15)10-5-7(6-10)4-8(11)12/h7H,2-6H2,1H3,(H,11,12)
InChIKeyHVKCEDVMBLHHDQ-UHFFFAOYSA-N
MW265.29 g/mol
LogP-0.71
Rot. Bonds6

About 2-[1-(3-methoxy-3-oxopropyl)sulfonylazetidin-3-yl]acetic acid

2-[1-(3-methoxy-3-oxopropyl)sulfonylazetidin-3-yl]acetic acid (PubChem CID 64616613) has the molecular formula C9H15NO6S and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-[1-(3-methoxy-3-oxopropyl)sulfonylazetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-methoxy-3-oxopropyl)sulfonylazetidin-3-yl]acetic acid
PubChem CID64616613
Molecular FormulaC9H15NO6S
Molecular Weight265.29 g/mol
Exact Mass265.06
IUPAC Name2-[1-(3-methoxy-3-oxopropyl)sulfonylazetidin-3-yl]acetic acid
SMILESCOC(=O)CCS(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C9H15NO6S/c1-16-9(13)2-3-17(14,15)10-5-7(6-10)4-8(11)12/h7H,2-6H2,1H3,(H,11,12)
InChIKeyHVKCEDVMBLHHDQ-UHFFFAOYSA-N
XLogP-0.71
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(3-methoxy-3-oxopropyl)sulfonylazetidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxy-3-oxopropyl)sulfonylazetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-methoxy-3-oxopropyl)sulfonylazetidin-3-yl]acetic acid (CID 64616613) is 2-[1-(3-methoxy-3-oxopropyl)sulfonylazetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-methoxy-3-oxopropyl)sulfonylazetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-methoxy-3-oxopropyl)sulfonylazetidin-3-yl]acetic acid is COC(=O)CCS(=O)(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(3-methoxy-3-oxopropyl)sulfonylazetidin-3-yl]acetic acid?
The InChIKey is HVKCEDVMBLHHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO6S/c1-16-9(13)2-3-17(14,15)10-5-7(6-10)4-8(11)12/h7H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-[1-(3-methoxy-3-oxopropyl)sulfonylazetidin-3-yl]acetic acid?
2-[1-(3-methoxy-3-oxopropyl)sulfonylazetidin-3-yl]acetic acid has a molecular weight of 265.29 g/mol, XLogP of -0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxy-3-oxopropyl)sulfonylazetidin-3-yl]acetic acid is sourced from PubChem (CID 64616613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).