benzyl 2-(2-methyl-1,3-dioxolan-2-yl)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate

C33H32N2O7 — CID 14306032

IUPACbenzyl 2-(2-methyl-1,3-dioxolan-2-yl)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate
SMILESCC1(C(C(=O)OCc2ccccc2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)OCCO1
InChIInChI=1S/C33H32N2O7/c1-33(41-19-20-42-33)29(31(37)39-21-24-13-7-3-8-14-24)35-26(18-17-23-11-5-2-6-12-23)28(30(35)36)34-27(22-40-32(34)38)25-15-9-4-10-16-25/h2-18,26-29H,19-22H2,1H3/b18-17+/t26-,27-,28+,29?/m1/s1
InChIKeySVRROAFHVMFZDD-YJNJIKGQSA-N
MW568.63 g/mol
LogP4.35
Rot. Bonds9

About benzyl 2-(2-methyl-1,3-dioxolan-2-yl)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate

benzyl 2-(2-methyl-1,3-dioxolan-2-yl)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate (PubChem CID 14306032) has the molecular formula C33H32N2O7 and a molecular weight of 568.63 g/mol. Its IUPAC name is benzyl 2-(2-methyl-1,3-dioxolan-2-yl)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-(2-methyl-1,3-dioxolan-2-yl)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate
PubChem CID14306032
Molecular FormulaC33H32N2O7
Molecular Weight568.63 g/mol
Exact Mass568.22
IUPAC Namebenzyl 2-(2-methyl-1,3-dioxolan-2-yl)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate
SMILESCC1(C(C(=O)OCc2ccccc2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)OCCO1
InChIInChI=1S/C33H32N2O7/c1-33(41-19-20-42-33)29(31(37)39-21-24-13-7-3-8-14-24)35-26(18-17-23-11-5-2-6-12-23)28(30(35)36)34-27(22-40-32(34)38)25-15-9-4-10-16-25/h2-18,26-29H,19-22H2,1H3/b18-17+/t26-,27-,28+,29?/m1/s1
InChIKeySVRROAFHVMFZDD-YJNJIKGQSA-N
XLogP4.35
TPSA94.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.63
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze benzyl 2-(2-methyl-1,3-dioxolan-2-yl)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-methyl-1,3-dioxolan-2-yl)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate?
The IUPAC name of benzyl 2-(2-methyl-1,3-dioxolan-2-yl)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate (CID 14306032) is benzyl 2-(2-methyl-1,3-dioxolan-2-yl)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate.
What is the SMILES notation for benzyl 2-(2-methyl-1,3-dioxolan-2-yl)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate?
The canonical SMILES for benzyl 2-(2-methyl-1,3-dioxolan-2-yl)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate is CC1(C(C(=O)OCc2ccccc2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)OCCO1.
What is the InChIKey of benzyl 2-(2-methyl-1,3-dioxolan-2-yl)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate?
The InChIKey is SVRROAFHVMFZDD-YJNJIKGQSA-N. The full InChI is InChI=1S/C33H32N2O7/c1-33(41-19-20-42-33)29(31(37)39-21-24-13-7-3-8-14-24)35-26(18-17-23-11-5-2-6-12-23)28(30(35)36)34-27(22-40-32(34)38)25-15-9-4-10-16-25/h2-18,26-29H,19-22H2,1H3/b18-17+/t26-,27-,28+,29?/m1/s1.
What are the key properties of benzyl 2-(2-methyl-1,3-dioxolan-2-yl)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate?
benzyl 2-(2-methyl-1,3-dioxolan-2-yl)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate has a molecular weight of 568.63 g/mol, XLogP of 4.35, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-methyl-1,3-dioxolan-2-yl)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate is sourced from PubChem (CID 14306032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).