(2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde

C24H31NO7 — CID 11826409

IUPAC(2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde
SMILESCO[C@H]1C(=O)N([C@@H](C=O)[C@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C24H31NO7/c1-23(2)29-14-18(30-23)21-19(31-24(3,4)32-21)17(13-26)25-16(20(28-5)22(25)27)12-11-15-9-7-6-8-10-15/h6-13,16-21H,14H2,1-5H3/b12-11+/t16-,17-,18+,19+,20+,21+/m0/s1
InChIKeyRDZYVVNZUXFBLT-YENXVJEMSA-N
MW445.51 g/mol
LogP2.16
Rot. Bonds7

About (2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde

(2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde (PubChem CID 11826409) has the molecular formula C24H31NO7 and a molecular weight of 445.51 g/mol. Its IUPAC name is (2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde.

Molecular Properties

Compound Name(2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde
PubChem CID11826409
Molecular FormulaC24H31NO7
Molecular Weight445.51 g/mol
Exact Mass445.21
IUPAC Name(2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde
SMILESCO[C@H]1C(=O)N([C@@H](C=O)[C@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C24H31NO7/c1-23(2)29-14-18(30-23)21-19(31-24(3,4)32-21)17(13-26)25-16(20(28-5)22(25)27)12-11-15-9-7-6-8-10-15/h6-13,16-21H,14H2,1-5H3/b12-11+/t16-,17-,18+,19+,20+,21+/m0/s1
InChIKeyRDZYVVNZUXFBLT-YENXVJEMSA-N
XLogP2.16
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.51
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde with MolForge

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Related Compounds

(4S,5R)-5-[(2R,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidin-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 10430796
(2S)-2-(dibenzylamino)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 10503210
(4S)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidine-2,3-dione
CID 11357834
(3R,4S)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxyazetidin-2-one
CID 102241721
(2R)-2-[(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3S)-3-methoxy-2-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde
CID 134922894
(2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[3-[(2S)-2-(1-methoxy-2-phenylethenyl)-4-oxoazetidin-1-yl]dithian-3-yl]acetaldehyde
CID 88527213
[(2S,3R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-3-yl] acetate
CID 10519660
methyl 2-[(2S,3R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxo-3-phenylmethoxyazetidin-1-yl]propanoate
CID 10522721
(3R,4S)-1-but-3-enyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one
CID 10664246
(2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(2S,3S)-3-phenyloxiran-2-yl]azetidin-1-yl]acetaldehyde
CID 10874219
(2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3S,4R)-3-methoxy-2-oxo-4-[(2S,3S)-3-phenyloxiran-2-yl]azetidin-1-yl]acetaldehyde
CID 10983418
benzyl (E)-3-[(2R,3S)-1-[(1R)-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxoethyl]-3-methoxy-4-oxoazetidin-2-yl]prop-2-enoate
CID 11145560

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde?
The IUPAC name of (2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde (CID 11826409) is (2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde.
What is the SMILES notation for (2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde?
The canonical SMILES for (2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde is CO[C@H]1C(=O)N([C@@H](C=O)[C@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)[C@H]1/C=C/c1ccccc1.
What is the InChIKey of (2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde?
The InChIKey is RDZYVVNZUXFBLT-YENXVJEMSA-N. The full InChI is InChI=1S/C24H31NO7/c1-23(2)29-14-18(30-23)21-19(31-24(3,4)32-21)17(13-26)25-16(20(28-5)22(25)27)12-11-15-9-7-6-8-10-15/h6-13,16-21H,14H2,1-5H3/b12-11+/t16-,17-,18+,19+,20+,21+/m0/s1.
What are the key properties of (2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde?
(2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde has a molecular weight of 445.51 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(3R,4S)-3-methoxy-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetaldehyde is sourced from PubChem (CID 11826409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).