methyl 3-(1-benzyl-2-oxo-4-phenylazetidin-3-yl)propanoate

C20H21NO3 — CID 23572772

IUPACmethyl 3-(1-benzyl-2-oxo-4-phenylazetidin-3-yl)propanoate
SMILESCOC(=O)CCC1C(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C20H21NO3/c1-24-18(22)13-12-17-19(16-10-6-3-7-11-16)21(20(17)23)14-15-8-4-2-5-9-15/h2-11,17,19H,12-14H2,1H3
InChIKeyLNHIDCQQICSCOV-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.34
Rot. Bonds6

About methyl 3-(1-benzyl-2-oxo-4-phenylazetidin-3-yl)propanoate

methyl 3-(1-benzyl-2-oxo-4-phenylazetidin-3-yl)propanoate (PubChem CID 23572772) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is methyl 3-(1-benzyl-2-oxo-4-phenylazetidin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(1-benzyl-2-oxo-4-phenylazetidin-3-yl)propanoate
PubChem CID23572772
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Namemethyl 3-(1-benzyl-2-oxo-4-phenylazetidin-3-yl)propanoate
SMILESCOC(=O)CCC1C(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C20H21NO3/c1-24-18(22)13-12-17-19(16-10-6-3-7-11-16)21(20(17)23)14-15-8-4-2-5-9-15/h2-11,17,19H,12-14H2,1H3
InChIKeyLNHIDCQQICSCOV-UHFFFAOYSA-N
XLogP3.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R,4S)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 10469773
(4S)-1,3-dibenzyl-4-phenylazetidin-2-one
CID 58632784
methyl 4-(1-benzyl-3-methyl-4-oxoazetidin-2-yl)benzoate
CID 122231365
(3S,4R)-3-(2-chloroethyl)-1-(2-methoxyethyl)-4-phenylazetidin-2-one
CID 46856404
(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
CID 40999549
methyl (2R,3S)-1-benzyl-3-phenylaziridine-2-carboxylate
CID 23243948
methyl (2S,3S)-1-(3-methoxy-3-oxopropyl)-3-phenylaziridine-2-carboxylate
CID 23266537
methyl 2-[(2R,5R)-4-benzyl-5-methyl-3,6-dioxopiperazin-2-yl]acetate
CID 146250811
dimethyl (3S,4S,5S)-1-(2-methoxy-2-oxoethyl)-2-oxo-5-phenylpyrrolidine-3,4-dicarboxylate
CID 15314815
(3R,4S)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one
CID 23243964
methyl 3-[1-benzyl-3-(2-hydroxyethyl)-4-oxoazetidin-2-yl]prop-2-enoate
CID 70427661
1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one
CID 91824522

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-benzyl-2-oxo-4-phenylazetidin-3-yl)propanoate?
The IUPAC name of methyl 3-(1-benzyl-2-oxo-4-phenylazetidin-3-yl)propanoate (CID 23572772) is methyl 3-(1-benzyl-2-oxo-4-phenylazetidin-3-yl)propanoate.
What is the SMILES notation for methyl 3-(1-benzyl-2-oxo-4-phenylazetidin-3-yl)propanoate?
The canonical SMILES for methyl 3-(1-benzyl-2-oxo-4-phenylazetidin-3-yl)propanoate is COC(=O)CCC1C(=O)N(Cc2ccccc2)C1c1ccccc1.
What is the InChIKey of methyl 3-(1-benzyl-2-oxo-4-phenylazetidin-3-yl)propanoate?
The InChIKey is LNHIDCQQICSCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-24-18(22)13-12-17-19(16-10-6-3-7-11-16)21(20(17)23)14-15-8-4-2-5-9-15/h2-11,17,19H,12-14H2,1H3.
What are the key properties of methyl 3-(1-benzyl-2-oxo-4-phenylazetidin-3-yl)propanoate?
methyl 3-(1-benzyl-2-oxo-4-phenylazetidin-3-yl)propanoate has a molecular weight of 323.39 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-benzyl-2-oxo-4-phenylazetidin-3-yl)propanoate is sourced from PubChem (CID 23572772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).