(4S,5R)-1-[(2R,3R)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one

About (4S,5R)-1-[(2R,3R)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one

(4S,5R)-1-[(2R,3R)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one (PubChem CID 10531090) has the molecular formula C34H43N3O3Si and a molecular weight of 569.82 g/mol. Its IUPAC name is (4S,5R)-1-[(2R,3R)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one.

Molecular Properties

Compound Name	(4S,5R)-1-[(2R,3R)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one
PubChem CID	10531090
Molecular Formula	C34H43N3O3Si
Molecular Weight	569.82 g/mol
Exact Mass	569.31
IUPAC Name	(4S,5R)-1-[(2R,3R)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one
SMILES	C[C@H]1[C@@H](c2ccccc2)N([C@H]2C(=O)N(Cc3ccccc3)[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)c2ccccc2)C(=O)N1C
InChI	InChI=1S/C34H43N3O3Si/c1-24-28(26-19-13-9-14-20-26)37(33(39)35(24)5)30-29(36(32(30)38)23-25-17-11-8-12-18-25)31(27-21-15-10-16-22-27)40-41(6,7)34(2,3)4/h8-22,24,28-31H,23H2,1-7H3/t24-,28-,29+,30+,31-/m0/s1
InChIKey	CXHQYHPWBBKJHG-RQKAHOPCSA-N
XLogP	7.03
TPSA	53.09 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	8
Heavy Atoms	41
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.82
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1-[(2R,3R)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one?

The IUPAC name of (4S,5R)-1-[(2R,3R)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one (CID 10531090) is (4S,5R)-1-[(2R,3R)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one.

What is the SMILES notation for (4S,5R)-1-[(2R,3R)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one?

The canonical SMILES for (4S,5R)-1-[(2R,3R)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one is C[C@H]1[C@@H](c2ccccc2)N([C@H]2C(=O)N(Cc3ccccc3)[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)c2ccccc2)C(=O)N1C.

What is the InChIKey of (4S,5R)-1-[(2R,3R)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one?

The InChIKey is CXHQYHPWBBKJHG-RQKAHOPCSA-N. The full InChI is InChI=1S/C34H43N3O3Si/c1-24-28(26-19-13-9-14-20-26)37(33(39)35(24)5)30-29(36(32(30)38)23-25-17-11-8-12-18-25)31(27-21-15-10-16-22-27)40-41(6,7)34(2,3)4/h8-22,24,28-31H,23H2,1-7H3/t24-,28-,29+,30+,31-/m0/s1.

What are the key properties of (4S,5R)-1-[(2R,3R)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one?

(4S,5R)-1-[(2R,3R)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one has a molecular weight of 569.82 g/mol, XLogP of 7.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5R)-1-[(2R,3R)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one is sourced from PubChem (CID 10531090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).