ethyl 2-[azetidine-2-carbonyl(benzyl)amino]acetate

C15H20N2O3 — CID 166245749

IUPACethyl 2-[azetidine-2-carbonyl(benzyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)C1CCN1
InChIInChI=1S/C15H20N2O3/c1-2-20-14(18)11-17(15(19)13-8-9-16-13)10-12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3
InChIKeyKBDCUPGNTVWOBU-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.94
Rot. Bonds6

About ethyl 2-[azetidine-2-carbonyl(benzyl)amino]acetate

ethyl 2-[azetidine-2-carbonyl(benzyl)amino]acetate (PubChem CID 166245749) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 2-[azetidine-2-carbonyl(benzyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[azetidine-2-carbonyl(benzyl)amino]acetate
PubChem CID166245749
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 2-[azetidine-2-carbonyl(benzyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)C1CCN1
InChIInChI=1S/C15H20N2O3/c1-2-20-14(18)11-17(15(19)13-8-9-16-13)10-12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3
InChIKeyKBDCUPGNTVWOBU-UHFFFAOYSA-N
XLogP0.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[azetidine-2-carbonyl(benzyl)amino]acetate?
The IUPAC name of ethyl 2-[azetidine-2-carbonyl(benzyl)amino]acetate (CID 166245749) is ethyl 2-[azetidine-2-carbonyl(benzyl)amino]acetate.
What is the SMILES notation for ethyl 2-[azetidine-2-carbonyl(benzyl)amino]acetate?
The canonical SMILES for ethyl 2-[azetidine-2-carbonyl(benzyl)amino]acetate is CCOC(=O)CN(Cc1ccccc1)C(=O)C1CCN1.
What is the InChIKey of ethyl 2-[azetidine-2-carbonyl(benzyl)amino]acetate?
The InChIKey is KBDCUPGNTVWOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-20-14(18)11-17(15(19)13-8-9-16-13)10-12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3.
What are the key properties of ethyl 2-[azetidine-2-carbonyl(benzyl)amino]acetate?
ethyl 2-[azetidine-2-carbonyl(benzyl)amino]acetate has a molecular weight of 276.34 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[azetidine-2-carbonyl(benzyl)amino]acetate is sourced from PubChem (CID 166245749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).