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]acetic acid

C26H26N2O7 — CID 14306034

IUPAC2-(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]acetic acid
SMILESCC1(C(C(=O)O)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)OCCO1
InChIInChI=1S/C26H26N2O7/c1-26(34-14-15-35-26)22(24(30)31)28-19(13-12-17-8-4-2-5-9-17)21(23(28)29)27-20(16-33-25(27)32)18-10-6-3-7-11-18/h2-13,19-22H,14-16H2,1H3,(H,30,31)/b13-12+/t19-,20-,21+,22?/m1/s1
InChIKeyZLKDFFMDPZQNPN-FKXRIMIFSA-N
MW478.50 g/mol
LogP2.69
Rot. Bonds7

About 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]acetic acid

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]acetic acid (PubChem CID 14306034) has the molecular formula C26H26N2O7 and a molecular weight of 478.50 g/mol. Its IUPAC name is 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]acetic acid.

Molecular Properties

Compound Name2-(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]acetic acid
PubChem CID14306034
Molecular FormulaC26H26N2O7
Molecular Weight478.50 g/mol
Exact Mass478.17
IUPAC Name2-(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]acetic acid
SMILESCC1(C(C(=O)O)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)OCCO1
InChIInChI=1S/C26H26N2O7/c1-26(34-14-15-35-26)22(24(30)31)28-19(13-12-17-8-4-2-5-9-17)21(23(28)29)27-20(16-33-25(27)32)18-10-6-3-7-11-18/h2-13,19-22H,14-16H2,1H3,(H,30,31)/b13-12+/t19-,20-,21+,22?/m1/s1
InChIKeyZLKDFFMDPZQNPN-FKXRIMIFSA-N
XLogP2.69
TPSA105.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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]acetic acid?
The IUPAC name of 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]acetic acid (CID 14306034) is 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]acetic acid.
What is the SMILES notation for 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]acetic acid?
The canonical SMILES for 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]acetic acid is CC1(C(C(=O)O)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)OCCO1.
What is the InChIKey of 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]acetic acid?
The InChIKey is ZLKDFFMDPZQNPN-FKXRIMIFSA-N. The full InChI is InChI=1S/C26H26N2O7/c1-26(34-14-15-35-26)22(24(30)31)28-19(13-12-17-8-4-2-5-9-17)21(23(28)29)27-20(16-33-25(27)32)18-10-6-3-7-11-18/h2-13,19-22H,14-16H2,1H3,(H,30,31)/b13-12+/t19-,20-,21+,22?/m1/s1.
What are the key properties of 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]acetic acid?
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]acetic acid has a molecular weight of 478.50 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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]acetic acid is sourced from PubChem (CID 14306034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).