[(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imino-iminoazanium

C19H39N4O4Si+ — CID 158421483

IUPAC[(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imino-iminoazanium
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/h13-16,20,24H,9-12H2,1-8H3/p+1/t14-,15-,16-/m1/s1
InChIKeyHANSSQDLLCURJD-BZUAXINKSA-O
MW415.63 g/mol
LogP3.84
Rot. Bonds9

About [(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imino-iminoazanium

[(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imino-iminoazanium (PubChem CID 158421483) has the molecular formula C19H39N4O4Si+ and a molecular weight of 415.63 g/mol. Its IUPAC name is [(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imino-iminoazanium.

Molecular Properties

Compound Name[(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imino-iminoazanium
PubChem CID158421483
Molecular FormulaC19H39N4O4Si+
Molecular Weight415.63 g/mol
Exact Mass415.27
IUPAC Name[(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imino-iminoazanium
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/h13-16,20,24H,9-12H2,1-8H3/p+1/t14-,15-,16-/m1/s1
InChIKeyHANSSQDLLCURJD-BZUAXINKSA-O
XLogP3.84
TPSA118.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.63
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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'}

Analyze [(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imino-iminoazanium 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 [(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imino-iminoazanium?
The IUPAC name of [(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imino-iminoazanium (CID 158421483) is [(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imino-iminoazanium.
What is the SMILES notation for [(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imino-iminoazanium?
The canonical SMILES for [(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imino-iminoazanium 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 [(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imino-iminoazanium?
The InChIKey is HANSSQDLLCURJD-BZUAXINKSA-O. 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/h13-16,20,24H,9-12H2,1-8H3/p+1/t14-,15-,16-/m1/s1.
What are the key properties of [(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imino-iminoazanium?
[(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imino-iminoazanium has a molecular weight of 415.63 g/mol, XLogP of 3.84, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]imino-iminoazanium is sourced from PubChem (CID 158421483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).