methyl 2-[(2S,3S)-2-(furan-2-yl)-4-oxo-3-phenoxyazetidin-1-yl]acetate

C16H15NO5 — CID 101189036

IUPACmethyl 2-[(2S,3S)-2-(furan-2-yl)-4-oxo-3-phenoxyazetidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)[C@@H](Oc2ccccc2)[C@H]1c1ccco1
InChIInChI=1S/C16H15NO5/c1-20-13(18)10-17-14(12-8-5-9-21-12)15(16(17)19)22-11-6-3-2-4-7-11/h2-9,14-15H,10H2,1H3/t14-,15+/m1/s1
InChIKeyPEQHMDKHKXHJDW-CABCVRRESA-N
MW301.30 g/mol
LogP1.78
Rot. Bonds5

About methyl 2-[(2S,3S)-2-(furan-2-yl)-4-oxo-3-phenoxyazetidin-1-yl]acetate

methyl 2-[(2S,3S)-2-(furan-2-yl)-4-oxo-3-phenoxyazetidin-1-yl]acetate (PubChem CID 101189036) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is methyl 2-[(2S,3S)-2-(furan-2-yl)-4-oxo-3-phenoxyazetidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,3S)-2-(furan-2-yl)-4-oxo-3-phenoxyazetidin-1-yl]acetate
PubChem CID101189036
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Namemethyl 2-[(2S,3S)-2-(furan-2-yl)-4-oxo-3-phenoxyazetidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)[C@@H](Oc2ccccc2)[C@H]1c1ccco1
InChIInChI=1S/C16H15NO5/c1-20-13(18)10-17-14(12-8-5-9-21-12)15(16(17)19)22-11-6-3-2-4-7-11/h2-9,14-15H,10H2,1H3/t14-,15+/m1/s1
InChIKeyPEQHMDKHKXHJDW-CABCVRRESA-N
XLogP1.78
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2S,3S)-2-(furan-2-yl)-4-oxo-3-phenoxyazetidin-1-yl]acetate with MolForge

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Related Compounds

methyl 2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate
CID 129362185
2-[(2S,3S)-2-(2-hydroxyphenyl)-4-oxo-3-phenoxyazetidin-1-yl]acetic acid
CID 95988582
methyl 2-[6-(furan-2-yl)-9,9-dimethyl-7-oxo-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]acetate
CID 4752550
(3S,4R)-1-[2-[(3R,4S)-2-oxo-3-phenoxy-4-phenylazetidin-1-yl]ethyl]-3-phenoxy-4-phenylazetidin-2-one
CID 101075426
dimethyl (3S,4S,5S)-1-(2-methoxy-2-oxoethyl)-2-oxo-5-phenylpyrrolidine-3,4-dicarboxylate
CID 15314815
methyl 2-[(1S,2S,6R,7S)-7-(furan-2-yl)-3,5,12-trioxo-4-phenyl-4,8,11-triazatricyclo[6.4.0.02,6]dodecan-1-yl]acetate
CID 124794002
methyl 2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetate
CID 95632349
methyl 2-[(2R,3S)-2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetate
CID 15670703
4-(furan-2-yl)-3-methoxy-1-(4-methoxyphenyl)azetidin-2-one
CID 73312428
methyl (2R,3S,4S)-2-(furan-2-yl)-4-hydroxy-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 51418122
3-(furan-2-yl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 67367223
methyl (3S,4S)-2-(furan-2-yl)-4-hydroxy-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 2754063

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,3S)-2-(furan-2-yl)-4-oxo-3-phenoxyazetidin-1-yl]acetate?
The IUPAC name of methyl 2-[(2S,3S)-2-(furan-2-yl)-4-oxo-3-phenoxyazetidin-1-yl]acetate (CID 101189036) is methyl 2-[(2S,3S)-2-(furan-2-yl)-4-oxo-3-phenoxyazetidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,3S)-2-(furan-2-yl)-4-oxo-3-phenoxyazetidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(2S,3S)-2-(furan-2-yl)-4-oxo-3-phenoxyazetidin-1-yl]acetate is COC(=O)CN1C(=O)[C@@H](Oc2ccccc2)[C@H]1c1ccco1.
What is the InChIKey of methyl 2-[(2S,3S)-2-(furan-2-yl)-4-oxo-3-phenoxyazetidin-1-yl]acetate?
The InChIKey is PEQHMDKHKXHJDW-CABCVRRESA-N. The full InChI is InChI=1S/C16H15NO5/c1-20-13(18)10-17-14(12-8-5-9-21-12)15(16(17)19)22-11-6-3-2-4-7-11/h2-9,14-15H,10H2,1H3/t14-,15+/m1/s1.
What are the key properties of methyl 2-[(2S,3S)-2-(furan-2-yl)-4-oxo-3-phenoxyazetidin-1-yl]acetate?
methyl 2-[(2S,3S)-2-(furan-2-yl)-4-oxo-3-phenoxyazetidin-1-yl]acetate has a molecular weight of 301.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,3S)-2-(furan-2-yl)-4-oxo-3-phenoxyazetidin-1-yl]acetate is sourced from PubChem (CID 101189036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).