(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,7-trimethyl-4-oxo-1,3-benzodioxin-5-yl)oxymethyl]pyrrolidine-1-carboxylic acid

About (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,7-trimethyl-4-oxo-1,3-benzodioxin-5-yl)oxymethyl]pyrrolidine-1-carboxylic acid

(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,7-trimethyl-4-oxo-1,3-benzodioxin-5-yl)oxymethyl]pyrrolidine-1-carboxylic acid (PubChem CID 174143219) has the molecular formula C33H39NO7Si and a molecular weight of 589.76 g/mol. Its IUPAC name is (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,7-trimethyl-4-oxo-1,3-benzodioxin-5-yl)oxymethyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name	(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,7-trimethyl-4-oxo-1,3-benzodioxin-5-yl)oxymethyl]pyrrolidine-1-carboxylic acid
PubChem CID	174143219
Molecular Formula	C33H39NO7Si
Molecular Weight	589.76 g/mol
Exact Mass	589.25
IUPAC Name	(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,7-trimethyl-4-oxo-1,3-benzodioxin-5-yl)oxymethyl]pyrrolidine-1-carboxylic acid
SMILES	Cc1cc(OC[C@H]2C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CN2C(=O)O)c2c(c1)OC(C)(C)OC2=O
InChI	InChI=1S/C33H39NO7Si/c1-22-17-27(29-28(18-22)39-33(5,6)40-30(29)35)38-21-23-19-24(20-34(23)31(36)37)41-42(32(2,3)4,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-18,23-24H,19-21H2,1-6H3,(H,36,37)/t23-,24-/m1/s1
InChIKey	HOTRJYUUTLKCAT-DNQXCXABSA-N
XLogP	5.36
TPSA	94.53 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.76
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,7-trimethyl-4-oxo-1,3-benzodioxin-5-yl)oxymethyl]pyrrolidine-1-carboxylic acid?

The IUPAC name of (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,7-trimethyl-4-oxo-1,3-benzodioxin-5-yl)oxymethyl]pyrrolidine-1-carboxylic acid (CID 174143219) is (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,7-trimethyl-4-oxo-1,3-benzodioxin-5-yl)oxymethyl]pyrrolidine-1-carboxylic acid.

What is the SMILES notation for (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,7-trimethyl-4-oxo-1,3-benzodioxin-5-yl)oxymethyl]pyrrolidine-1-carboxylic acid?

The canonical SMILES for (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,7-trimethyl-4-oxo-1,3-benzodioxin-5-yl)oxymethyl]pyrrolidine-1-carboxylic acid is Cc1cc(OC[C@H]2C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CN2C(=O)O)c2c(c1)OC(C)(C)OC2=O.

What is the InChIKey of (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,7-trimethyl-4-oxo-1,3-benzodioxin-5-yl)oxymethyl]pyrrolidine-1-carboxylic acid?

The InChIKey is HOTRJYUUTLKCAT-DNQXCXABSA-N. The full InChI is InChI=1S/C33H39NO7Si/c1-22-17-27(29-28(18-22)39-33(5,6)40-30(29)35)38-21-23-19-24(20-34(23)31(36)37)41-42(32(2,3)4,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-18,23-24H,19-21H2,1-6H3,(H,36,37)/t23-,24-/m1/s1.

What are the key properties of (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,7-trimethyl-4-oxo-1,3-benzodioxin-5-yl)oxymethyl]pyrrolidine-1-carboxylic acid?

(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,7-trimethyl-4-oxo-1,3-benzodioxin-5-yl)oxymethyl]pyrrolidine-1-carboxylic acid has a molecular weight of 589.76 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,7-trimethyl-4-oxo-1,3-benzodioxin-5-yl)oxymethyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 174143219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).