ethyl 2-[[4-[(E)-2-phenylethenyl]oxetane-2-carbonyl]amino]acetate

C16H19NO4 — CID 129012653

IUPACethyl 2-[[4-[(E)-2-phenylethenyl]oxetane-2-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C1CC(/C=C/c2ccccc2)O1
InChIInChI=1S/C16H19NO4/c1-2-20-15(18)11-17-16(19)14-10-13(21-14)9-8-12-6-4-3-5-7-12/h3-9,13-14H,2,10-11H2,1H3,(H,17,19)/b9-8+
InChIKeyHKJCTUGZRKZLTN-CMDGGOBGSA-N
MW289.33 g/mol
LogP1.54
Rot. Bonds6

About ethyl 2-[[4-[(E)-2-phenylethenyl]oxetane-2-carbonyl]amino]acetate

ethyl 2-[[4-[(E)-2-phenylethenyl]oxetane-2-carbonyl]amino]acetate (PubChem CID 129012653) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is ethyl 2-[[4-[(E)-2-phenylethenyl]oxetane-2-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-[(E)-2-phenylethenyl]oxetane-2-carbonyl]amino]acetate
PubChem CID129012653
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Nameethyl 2-[[4-[(E)-2-phenylethenyl]oxetane-2-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C1CC(/C=C/c2ccccc2)O1
InChIInChI=1S/C16H19NO4/c1-2-20-15(18)11-17-16(19)14-10-13(21-14)9-8-12-6-4-3-5-7-12/h3-9,13-14H,2,10-11H2,1H3,(H,17,19)/b9-8+
InChIKeyHKJCTUGZRKZLTN-CMDGGOBGSA-N
XLogP1.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-[(E)-2-phenylethenyl]oxetane-2-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[4-[(E)-2-phenylethenyl]oxetane-2-carbonyl]amino]acetate (CID 129012653) is ethyl 2-[[4-[(E)-2-phenylethenyl]oxetane-2-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-[(E)-2-phenylethenyl]oxetane-2-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-[(E)-2-phenylethenyl]oxetane-2-carbonyl]amino]acetate is CCOC(=O)CNC(=O)C1CC(/C=C/c2ccccc2)O1.
What is the InChIKey of ethyl 2-[[4-[(E)-2-phenylethenyl]oxetane-2-carbonyl]amino]acetate?
The InChIKey is HKJCTUGZRKZLTN-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H19NO4/c1-2-20-15(18)11-17-16(19)14-10-13(21-14)9-8-12-6-4-3-5-7-12/h3-9,13-14H,2,10-11H2,1H3,(H,17,19)/b9-8+.
What are the key properties of ethyl 2-[[4-[(E)-2-phenylethenyl]oxetane-2-carbonyl]amino]acetate?
ethyl 2-[[4-[(E)-2-phenylethenyl]oxetane-2-carbonyl]amino]acetate has a molecular weight of 289.33 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-[(E)-2-phenylethenyl]oxetane-2-carbonyl]amino]acetate is sourced from PubChem (CID 129012653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).