methyl 2-[(2R,3S)-2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetate

C20H22N2O5 — CID 15670703

IUPACmethyl 2-[(2R,3S)-2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)[C@@H](NC(=O)Cc2ccccc2)[C@H]1CCc1ccco1
InChIInChI=1S/C20H22N2O5/c1-26-18(24)13-22-16(10-9-15-8-5-11-27-15)19(20(22)25)21-17(23)12-14-6-3-2-4-7-14/h2-8,11,16,19H,9-10,12-13H2,1H3,(H,21,23)/t16-,19+/m1/s1
InChIKeyZJBNLRAJAFFKPI-APWZRJJASA-N
MW370.41 g/mol
LogP1.32
Rot. Bonds8

About methyl 2-[(2R,3S)-2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetate

methyl 2-[(2R,3S)-2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetate (PubChem CID 15670703) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is methyl 2-[(2R,3S)-2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,3S)-2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetate
PubChem CID15670703
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Namemethyl 2-[(2R,3S)-2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)[C@@H](NC(=O)Cc2ccccc2)[C@H]1CCc1ccco1
InChIInChI=1S/C20H22N2O5/c1-26-18(24)13-22-16(10-9-15-8-5-11-27-15)19(20(22)25)21-17(23)12-14-6-3-2-4-7-14/h2-8,11,16,19H,9-10,12-13H2,1H3,(H,21,23)/t16-,19+/m1/s1
InChIKeyZJBNLRAJAFFKPI-APWZRJJASA-N
XLogP1.32
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2R,3S)-2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetate with MolForge

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Related Compounds

2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid
CID 15670708
2-[(2R)-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid
CID 59093591
3-[1-benzyl-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 14314974
methyl 2-[(2S,3S)-2-(furan-2-yl)-4-oxo-3-phenoxyazetidin-1-yl]acetate
CID 101189036
benzyl 2-(furan-2-yl)acetate
CID 11447250
2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]-2-methoxyacetaldehyde
CID 57290039
2-[4-[[N'-benzyl-N-[2-(furan-2-yl)ethyl]carbamimidoyl]amino]piperidin-1-yl]-N-methylacetamide
CID 110054630
N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)propanamide
CID 95316735
methyl 2-[2-[[2-(furan-2-yl)ethylamino]methyl]phenyl]acetate
CID 115461693
methyl 2-[(2S,5S)-5-(2-methoxy-2-oxoethyl)-3,6-dioxo-1,4-bis(2-oxo-2-phenylmethoxyethyl)piperazin-2-yl]acetate
CID 11215029
methyl 2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate
CID 129362185
methyl 2-[2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidin-1-yl]-5-hydroxy-4,4-dimethylpentanoate
CID 70072667

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,3S)-2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetate?
The IUPAC name of methyl 2-[(2R,3S)-2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetate (CID 15670703) is methyl 2-[(2R,3S)-2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,3S)-2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(2R,3S)-2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetate is COC(=O)CN1C(=O)[C@@H](NC(=O)Cc2ccccc2)[C@H]1CCc1ccco1.
What is the InChIKey of methyl 2-[(2R,3S)-2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetate?
The InChIKey is ZJBNLRAJAFFKPI-APWZRJJASA-N. The full InChI is InChI=1S/C20H22N2O5/c1-26-18(24)13-22-16(10-9-15-8-5-11-27-15)19(20(22)25)21-17(23)12-14-6-3-2-4-7-14/h2-8,11,16,19H,9-10,12-13H2,1H3,(H,21,23)/t16-,19+/m1/s1.
What are the key properties of methyl 2-[(2R,3S)-2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetate?
methyl 2-[(2R,3S)-2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetate has a molecular weight of 370.41 g/mol, XLogP of 1.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3S)-2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetate is sourced from PubChem (CID 15670703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).