[(2R,3R)-3-ethyl-4-oxoazetidin-2-yl]methyl (2R)-2-methoxy-2-phenylacetate

C15H19NO4 — CID 18642570

IUPAC[(2R,3R)-3-ethyl-4-oxoazetidin-2-yl]methyl (2R)-2-methoxy-2-phenylacetate
SMILESCC[C@H]1C(=O)N[C@H]1COC(=O)[C@H](OC)c1ccccc1
InChIInChI=1S/C15H19NO4/c1-3-11-12(16-14(11)17)9-20-15(18)13(19-2)10-7-5-4-6-8-10/h4-8,11-13H,3,9H2,1-2H3,(H,16,17)/t11-,12+,13-/m1/s1
InChIKeySFPMEWYBEIXUHD-FRRDWIJNSA-N
MW277.32 g/mol
LogP1.44
Rot. Bonds6

About [(2R,3R)-3-ethyl-4-oxoazetidin-2-yl]methyl (2R)-2-methoxy-2-phenylacetate

[(2R,3R)-3-ethyl-4-oxoazetidin-2-yl]methyl (2R)-2-methoxy-2-phenylacetate (PubChem CID 18642570) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [(2R,3R)-3-ethyl-4-oxoazetidin-2-yl]methyl (2R)-2-methoxy-2-phenylacetate.

Molecular Properties

Compound Name[(2R,3R)-3-ethyl-4-oxoazetidin-2-yl]methyl (2R)-2-methoxy-2-phenylacetate
PubChem CID18642570
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[(2R,3R)-3-ethyl-4-oxoazetidin-2-yl]methyl (2R)-2-methoxy-2-phenylacetate
SMILESCC[C@H]1C(=O)N[C@H]1COC(=O)[C@H](OC)c1ccccc1
InChIInChI=1S/C15H19NO4/c1-3-11-12(16-14(11)17)9-20-15(18)13(19-2)10-7-5-4-6-8-10/h4-8,11-13H,3,9H2,1-2H3,(H,16,17)/t11-,12+,13-/m1/s1
InChIKeySFPMEWYBEIXUHD-FRRDWIJNSA-N
XLogP1.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-ethyl-4-oxoazetidin-2-yl]methyl (2R)-2-methoxy-2-phenylacetate?
The IUPAC name of [(2R,3R)-3-ethyl-4-oxoazetidin-2-yl]methyl (2R)-2-methoxy-2-phenylacetate (CID 18642570) is [(2R,3R)-3-ethyl-4-oxoazetidin-2-yl]methyl (2R)-2-methoxy-2-phenylacetate.
What is the SMILES notation for [(2R,3R)-3-ethyl-4-oxoazetidin-2-yl]methyl (2R)-2-methoxy-2-phenylacetate?
The canonical SMILES for [(2R,3R)-3-ethyl-4-oxoazetidin-2-yl]methyl (2R)-2-methoxy-2-phenylacetate is CC[C@H]1C(=O)N[C@H]1COC(=O)[C@H](OC)c1ccccc1.
What is the InChIKey of [(2R,3R)-3-ethyl-4-oxoazetidin-2-yl]methyl (2R)-2-methoxy-2-phenylacetate?
The InChIKey is SFPMEWYBEIXUHD-FRRDWIJNSA-N. The full InChI is InChI=1S/C15H19NO4/c1-3-11-12(16-14(11)17)9-20-15(18)13(19-2)10-7-5-4-6-8-10/h4-8,11-13H,3,9H2,1-2H3,(H,16,17)/t11-,12+,13-/m1/s1.
What are the key properties of [(2R,3R)-3-ethyl-4-oxoazetidin-2-yl]methyl (2R)-2-methoxy-2-phenylacetate?
[(2R,3R)-3-ethyl-4-oxoazetidin-2-yl]methyl (2R)-2-methoxy-2-phenylacetate has a molecular weight of 277.32 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-ethyl-4-oxoazetidin-2-yl]methyl (2R)-2-methoxy-2-phenylacetate is sourced from PubChem (CID 18642570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).