ethyl 2-[(1-cyclopropylsulfonylazetidine-3-carbonyl)amino]acetate

C11H18N2O5S — CID 71785562

IUPACethyl 2-[(1-cyclopropylsulfonylazetidine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C11H18N2O5S/c1-2-18-10(14)5-12-11(15)8-6-13(7-8)19(16,17)9-3-4-9/h8-9H,2-7H2,1H3,(H,12,15)
InChIKeyTXJDUFZJGMEYOY-UHFFFAOYSA-N
MW290.34 g/mol
LogP-0.91
Rot. Bonds6

About ethyl 2-[(1-cyclopropylsulfonylazetidine-3-carbonyl)amino]acetate

ethyl 2-[(1-cyclopropylsulfonylazetidine-3-carbonyl)amino]acetate (PubChem CID 71785562) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is ethyl 2-[(1-cyclopropylsulfonylazetidine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-cyclopropylsulfonylazetidine-3-carbonyl)amino]acetate
PubChem CID71785562
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Nameethyl 2-[(1-cyclopropylsulfonylazetidine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C11H18N2O5S/c1-2-18-10(14)5-12-11(15)8-6-13(7-8)19(16,17)9-3-4-9/h8-9H,2-7H2,1H3,(H,12,15)
InChIKeyTXJDUFZJGMEYOY-UHFFFAOYSA-N
XLogP-0.91
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(1-cyclopropylsulfonylazetidine-3-carbonyl)amino]acetate 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 ethyl 2-[(1-cyclopropylsulfonylazetidine-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(1-cyclopropylsulfonylazetidine-3-carbonyl)amino]acetate (CID 71785562) is ethyl 2-[(1-cyclopropylsulfonylazetidine-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(1-cyclopropylsulfonylazetidine-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(1-cyclopropylsulfonylazetidine-3-carbonyl)amino]acetate is CCOC(=O)CNC(=O)C1CN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of ethyl 2-[(1-cyclopropylsulfonylazetidine-3-carbonyl)amino]acetate?
The InChIKey is TXJDUFZJGMEYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c1-2-18-10(14)5-12-11(15)8-6-13(7-8)19(16,17)9-3-4-9/h8-9H,2-7H2,1H3,(H,12,15).
What are the key properties of ethyl 2-[(1-cyclopropylsulfonylazetidine-3-carbonyl)amino]acetate?
ethyl 2-[(1-cyclopropylsulfonylazetidine-3-carbonyl)amino]acetate has a molecular weight of 290.34 g/mol, XLogP of -0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-cyclopropylsulfonylazetidine-3-carbonyl)amino]acetate is sourced from PubChem (CID 71785562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).