tert-butyl N-[3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2-oxo-3H-pyridin-6-yl]-N-[(2-nitrophenyl)methyl]carbamate

C29H43N3O7Si — CID 66831160

IUPACtert-butyl N-[3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2-oxo-3H-pyridin-6-yl]-N-[(2-nitrophenyl)methyl]carbamate
SMILESCC[C@H]1O[C@@H](C2C=CC(N(Cc3ccccc3[N+](=O)[O-])C(=O)OC(C)(C)C)=NC2=O)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H43N3O7Si/c1-10-22-24(39-40(8,9)29(5,6)7)17-23(37-22)20-15-16-25(30-26(20)33)31(27(34)38-28(2,3)4)18-19-13-11-12-14-21(19)32(35)36/h11-16,20,22-24H,10,17-18H2,1-9H3/t20?,22-,23-,24?/m1/s1
InChIKeyOJJVSDAENYMZPK-LQBIAYRMSA-N
MW573.76 g/mol
LogP6.40
Rot. Bonds7

About tert-butyl N-[3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2-oxo-3H-pyridin-6-yl]-N-[(2-nitrophenyl)methyl]carbamate

tert-butyl N-[3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2-oxo-3H-pyridin-6-yl]-N-[(2-nitrophenyl)methyl]carbamate (PubChem CID 66831160) has the molecular formula C29H43N3O7Si and a molecular weight of 573.76 g/mol. Its IUPAC name is tert-butyl N-[3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2-oxo-3H-pyridin-6-yl]-N-[(2-nitrophenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2-oxo-3H-pyridin-6-yl]-N-[(2-nitrophenyl)methyl]carbamate
PubChem CID66831160
Molecular FormulaC29H43N3O7Si
Molecular Weight573.76 g/mol
Exact Mass573.29
IUPAC Nametert-butyl N-[3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2-oxo-3H-pyridin-6-yl]-N-[(2-nitrophenyl)methyl]carbamate
SMILESCC[C@H]1O[C@@H](C2C=CC(N(Cc3ccccc3[N+](=O)[O-])C(=O)OC(C)(C)C)=NC2=O)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H43N3O7Si/c1-10-22-24(39-40(8,9)29(5,6)7)17-23(37-22)20-15-16-25(30-26(20)33)31(27(34)38-28(2,3)4)18-19-13-11-12-14-21(19)32(35)36/h11-16,20,22-24H,10,17-18H2,1-9H3/t20?,22-,23-,24?/m1/s1
InChIKeyOJJVSDAENYMZPK-LQBIAYRMSA-N
XLogP6.40
TPSA120.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.76
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2-oxo-3H-pyridin-6-yl]-N-[(2-nitrophenyl)methyl]carbamate 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 tert-butyl N-[3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2-oxo-3H-pyridin-6-yl]-N-[(2-nitrophenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2-oxo-3H-pyridin-6-yl]-N-[(2-nitrophenyl)methyl]carbamate (CID 66831160) is tert-butyl N-[3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2-oxo-3H-pyridin-6-yl]-N-[(2-nitrophenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2-oxo-3H-pyridin-6-yl]-N-[(2-nitrophenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2-oxo-3H-pyridin-6-yl]-N-[(2-nitrophenyl)methyl]carbamate is CC[C@H]1O[C@@H](C2C=CC(N(Cc3ccccc3[N+](=O)[O-])C(=O)OC(C)(C)C)=NC2=O)CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2-oxo-3H-pyridin-6-yl]-N-[(2-nitrophenyl)methyl]carbamate?
The InChIKey is OJJVSDAENYMZPK-LQBIAYRMSA-N. The full InChI is InChI=1S/C29H43N3O7Si/c1-10-22-24(39-40(8,9)29(5,6)7)17-23(37-22)20-15-16-25(30-26(20)33)31(27(34)38-28(2,3)4)18-19-13-11-12-14-21(19)32(35)36/h11-16,20,22-24H,10,17-18H2,1-9H3/t20?,22-,23-,24?/m1/s1.
What are the key properties of tert-butyl N-[3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2-oxo-3H-pyridin-6-yl]-N-[(2-nitrophenyl)methyl]carbamate?
tert-butyl N-[3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2-oxo-3H-pyridin-6-yl]-N-[(2-nitrophenyl)methyl]carbamate has a molecular weight of 573.76 g/mol, XLogP of 6.40, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2-oxo-3H-pyridin-6-yl]-N-[(2-nitrophenyl)methyl]carbamate is sourced from PubChem (CID 66831160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).