tert-butyl N-[(3R)-1-[2-bromo-7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-2-oxopyrrolidin-3-yl]carbamate

C25H35BrN2O4Si — CID 70171856

IUPACtert-butyl N-[(3R)-1-[2-bromo-7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-2-oxopyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN(c2c(Br)ccc3ccc(O[Si](C)(C)C(C)(C)C)cc23)C1=O
InChIInChI=1S/C25H35BrN2O4Si/c1-24(2,3)31-23(30)27-20-13-14-28(22(20)29)21-18-15-17(32-33(7,8)25(4,5)6)11-9-16(18)10-12-19(21)26/h9-12,15,20H,13-14H2,1-8H3,(H,27,30)/t20-/m1/s1
InChIKeyLFZPSNZHYDZFBG-HXUWFJFHSA-N
MW535.56 g/mol
LogP6.62
Rot. Bonds4

About tert-butyl N-[(3R)-1-[2-bromo-7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-2-oxopyrrolidin-3-yl]carbamate

tert-butyl N-[(3R)-1-[2-bromo-7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-2-oxopyrrolidin-3-yl]carbamate (PubChem CID 70171856) has the molecular formula C25H35BrN2O4Si and a molecular weight of 535.56 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[2-bromo-7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-2-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[2-bromo-7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-2-oxopyrrolidin-3-yl]carbamate
PubChem CID70171856
Molecular FormulaC25H35BrN2O4Si
Molecular Weight535.56 g/mol
Exact Mass534.15
IUPAC Nametert-butyl N-[(3R)-1-[2-bromo-7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-2-oxopyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN(c2c(Br)ccc3ccc(O[Si](C)(C)C(C)(C)C)cc23)C1=O
InChIInChI=1S/C25H35BrN2O4Si/c1-24(2,3)31-23(30)27-20-13-14-28(22(20)29)21-18-15-17(32-33(7,8)25(4,5)6)11-9-16(18)10-12-19(21)26/h9-12,15,20H,13-14H2,1-8H3,(H,27,30)/t20-/m1/s1
InChIKeyLFZPSNZHYDZFBG-HXUWFJFHSA-N
XLogP6.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.56
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(3R)-1-[2-bromo-7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-2-oxopyrrolidin-3-yl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[(3S)-1-(1,2-oxazol-3-yl)-2-oxopyrrolidin-3-yl]carbamate
CID 15437365
tert-butyl N-[(3R)-2-oxo-1-(7-phenylmethoxynaphthalen-1-yl)pyrrolidin-3-yl]carbamate
CID 90736393
tert-butyl N-[(3S)-1-(6-amino-4-chloro-2-pyridinyl)-2-oxopyrrolidin-3-yl]carbamate
CID 158748267
tert-butyl N-[(3R)-1-(4-bromophenyl)-2-oxopiperidin-3-yl]carbamate
CID 129226585
tert-butyl N-[(11S)-12-oxo-1-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-11-yl]carbamate
CID 155189855
tert-butyl N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]carbamate
CID 95623664
tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate
CID 68911736
tert-butyl N-[(1R,6R,8aS)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate
CID 99864417
tert-butyl N-[1-[6-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-chromen-4-yl]-2-oxopyrrolidin-3-yl]carbamate
CID 18433482
tert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate
CID 45092234
tert-butyl N-[(3S)-1-[(1-amino-6-methoxyisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]carbamate
CID 54551007
tert-butyl N-[(3S)-1-[(1R)-6-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl]carbamate
CID 10875484

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[2-bromo-7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-2-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[2-bromo-7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-2-oxopyrrolidin-3-yl]carbamate (CID 70171856) is tert-butyl N-[(3R)-1-[2-bromo-7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-2-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[2-bromo-7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-2-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[2-bromo-7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-2-oxopyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCN(c2c(Br)ccc3ccc(O[Si](C)(C)C(C)(C)C)cc23)C1=O.
What is the InChIKey of tert-butyl N-[(3R)-1-[2-bromo-7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-2-oxopyrrolidin-3-yl]carbamate?
The InChIKey is LFZPSNZHYDZFBG-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H35BrN2O4Si/c1-24(2,3)31-23(30)27-20-13-14-28(22(20)29)21-18-15-17(32-33(7,8)25(4,5)6)11-9-16(18)10-12-19(21)26/h9-12,15,20H,13-14H2,1-8H3,(H,27,30)/t20-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-[2-bromo-7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-2-oxopyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-[2-bromo-7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-2-oxopyrrolidin-3-yl]carbamate has a molecular weight of 535.56 g/mol, XLogP of 6.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[2-bromo-7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-2-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 70171856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).