tert-butyl N-[(2R,3R,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamate

C19H38N4O4Si — CID 86726821

IUPACtert-butyl N-[(2R,3R,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CN=[N+]=[N-])C1CC1
InChIInChI=1S/C19H38N4O4Si/c1-18(2,3)26-17(25)22-15(12-24)16(27-28(7,8)19(4,5)6)14(11-21-23-20)13-9-10-13/h13-16,24H,9-12H2,1-8H3,(H,22,25)/t14-,15-,16-/m1/s1
InChIKeyXURBMEFWDVZBMA-BZUAXINKSA-N
MW414.62 g/mol
LogP4.60
Rot. Bonds9

About tert-butyl N-[(2R,3R,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamate

tert-butyl N-[(2R,3R,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamate (PubChem CID 86726821) has the molecular formula C19H38N4O4Si and a molecular weight of 414.62 g/mol. Its IUPAC name is tert-butyl N-[(2R,3R,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3R,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamate
PubChem CID86726821
Molecular FormulaC19H38N4O4Si
Molecular Weight414.62 g/mol
Exact Mass414.27
IUPAC Nametert-butyl N-[(2R,3R,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CN=[N+]=[N-])C1CC1
InChIInChI=1S/C19H38N4O4Si/c1-18(2,3)26-17(25)22-15(12-24)16(27-28(7,8)19(4,5)6)14(11-21-23-20)13-9-10-13/h13-16,24H,9-12H2,1-8H3,(H,22,25)/t14-,15-,16-/m1/s1
InChIKeyXURBMEFWDVZBMA-BZUAXINKSA-N
XLogP4.60
TPSA116.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.62
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3R,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3R,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamate (CID 86726821) is tert-butyl N-[(2R,3R,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3R,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3R,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CN=[N+]=[N-])C1CC1.
What is the InChIKey of tert-butyl N-[(2R,3R,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamate?
The InChIKey is XURBMEFWDVZBMA-BZUAXINKSA-N. The full InChI is InChI=1S/C19H38N4O4Si/c1-18(2,3)26-17(25)22-15(12-24)16(27-28(7,8)19(4,5)6)14(11-21-23-20)13-9-10-13/h13-16,24H,9-12H2,1-8H3,(H,22,25)/t14-,15-,16-/m1/s1.
What are the key properties of tert-butyl N-[(2R,3R,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamate?
tert-butyl N-[(2R,3R,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamate has a molecular weight of 414.62 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3R,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamate is sourced from PubChem (CID 86726821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).