[2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-3-yl] 2-methylpropanoate

C21H23NO3 — CID 67705047

IUPAC[2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-3-yl] 2-methylpropanoate
SMILESCC(C)C(=O)OC1C(=O)N([C@@H](C)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C21H23NO3/c1-14(2)21(24)25-19-18(17-12-8-5-9-13-17)22(20(19)23)15(3)16-10-6-4-7-11-16/h4-15,18-19H,1-3H3/t15-,18?,19?/m0/s1
InChIKeyLUVGDIQDKFGSEZ-MNNVXMFVSA-N
MW337.42 g/mol
LogP3.90
Rot. Bonds5

About [2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-3-yl] 2-methylpropanoate

[2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-3-yl] 2-methylpropanoate (PubChem CID 67705047) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is [2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-3-yl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-3-yl] 2-methylpropanoate
PubChem CID67705047
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name[2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-3-yl] 2-methylpropanoate
SMILESCC(C)C(=O)OC1C(=O)N([C@@H](C)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C21H23NO3/c1-14(2)21(24)25-19-18(17-12-8-5-9-13-17)22(20(19)23)15(3)16-10-6-4-7-11-16/h4-15,18-19H,1-3H3/t15-,18?,19?/m0/s1
InChIKeyLUVGDIQDKFGSEZ-MNNVXMFVSA-N
XLogP3.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] acetate
CID 22901647
[(3S)-2-(4-fluorophenyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl] acetate
CID 54404582
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 10597583
4-[(2S,3R)-3-hydroxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]benzonitrile
CID 54101496
[(2R,3R,4S)-3,4-dihydroxy-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methyl acetate
CID 72713131
methyl 2-(3-hydroxy-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate
CID 20522495
4-[2-hydroxy-4-oxo-1-(1-phenylethyl)azetidin-3-yl]benzonitrile
CID 21219514
(3R,4S)-3-amino-1-[(1R)-1-phenylethyl]-4-pyridin-2-ylazetidin-2-one
CID 57238552
actinium;bis(3-hydroxy-4-phenyl-1-(1-phenylethyl)azetidin-2-one);methane;1-phenyl-N-(1-phenylethyl)methanimine
CID 159551817
[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methyl acetate
CID 78324354
methyl N-[2-ethyl-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl]carbamate
CID 6712466
ethyl 2-(3-acetamido-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate
CID 20522480

Frequently Asked Questions

What is the IUPAC name of [2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-3-yl] 2-methylpropanoate?
The IUPAC name of [2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-3-yl] 2-methylpropanoate (CID 67705047) is [2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-3-yl] 2-methylpropanoate.
What is the SMILES notation for [2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-3-yl] 2-methylpropanoate?
The canonical SMILES for [2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-3-yl] 2-methylpropanoate is CC(C)C(=O)OC1C(=O)N([C@@H](C)c2ccccc2)C1c1ccccc1.
What is the InChIKey of [2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-3-yl] 2-methylpropanoate?
The InChIKey is LUVGDIQDKFGSEZ-MNNVXMFVSA-N. The full InChI is InChI=1S/C21H23NO3/c1-14(2)21(24)25-19-18(17-12-8-5-9-13-17)22(20(19)23)15(3)16-10-6-4-7-11-16/h4-15,18-19H,1-3H3/t15-,18?,19?/m0/s1.
What are the key properties of [2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-3-yl] 2-methylpropanoate?
[2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-3-yl] 2-methylpropanoate has a molecular weight of 337.42 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-3-yl] 2-methylpropanoate is sourced from PubChem (CID 67705047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).