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

C15H30N4O4Si — CID 90279637

IUPACN-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxy-5-(iminoazaniumylideneamino)pentan-2-yl]carbamate
SMILESCC(C)(C)[Si](C)(C)O[C@H]([C@H](CN=[N+]=N)C1CC1)[C@@H](CO)NC(=O)[O-]
InChIInChI=1S/C15H30N4O4Si/c1-15(2,3)24(4,5)23-13(12(9-20)18-14(21)22)11(8-17-19-16)10-6-7-10/h10-13,16,18,20H,6-9H2,1-5H3/t11-,12-,13-/m1/s1
InChIKeyZMOQNALMMKWDTB-JHJVBQTASA-N
MW358.52 g/mol
LogP1.25
Rot. Bonds9

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

N-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxy-5-(iminoazaniumylideneamino)pentan-2-yl]carbamate (PubChem CID 90279637) has the molecular formula C15H30N4O4Si and a molecular weight of 358.52 g/mol. Its IUPAC name is N-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxy-5-(iminoazaniumylideneamino)pentan-2-yl]carbamate.

Molecular Properties

Compound NameN-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxy-5-(iminoazaniumylideneamino)pentan-2-yl]carbamate
PubChem CID90279637
Molecular FormulaC15H30N4O4Si
Molecular Weight358.52 g/mol
Exact Mass358.20
IUPAC NameN-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxy-5-(iminoazaniumylideneamino)pentan-2-yl]carbamate
SMILESCC(C)(C)[Si](C)(C)O[C@H]([C@H](CN=[N+]=N)C1CC1)[C@@H](CO)NC(=O)[O-]
InChIInChI=1S/C15H30N4O4Si/c1-15(2,3)24(4,5)23-13(12(9-20)18-14(21)22)11(8-17-19-16)10-6-7-10/h10-13,16,18,20H,6-9H2,1-5H3/t11-,12-,13-/m1/s1
InChIKeyZMOQNALMMKWDTB-JHJVBQTASA-N
XLogP1.25
TPSA131.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 51.25
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxy-5-(iminoazaniumylideneamino)pentan-2-yl]carbamate?
The IUPAC name of N-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxy-5-(iminoazaniumylideneamino)pentan-2-yl]carbamate (CID 90279637) is N-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxy-5-(iminoazaniumylideneamino)pentan-2-yl]carbamate.
What is the SMILES notation for N-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxy-5-(iminoazaniumylideneamino)pentan-2-yl]carbamate?
The canonical SMILES for N-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxy-5-(iminoazaniumylideneamino)pentan-2-yl]carbamate is CC(C)(C)[Si](C)(C)O[C@H]([C@H](CN=[N+]=N)C1CC1)[C@@H](CO)NC(=O)[O-].
What is the InChIKey of N-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxy-5-(iminoazaniumylideneamino)pentan-2-yl]carbamate?
The InChIKey is ZMOQNALMMKWDTB-JHJVBQTASA-N. The full InChI is InChI=1S/C15H30N4O4Si/c1-15(2,3)24(4,5)23-13(12(9-20)18-14(21)22)11(8-17-19-16)10-6-7-10/h10-13,16,18,20H,6-9H2,1-5H3/t11-,12-,13-/m1/s1.
What are the key properties of N-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxy-5-(iminoazaniumylideneamino)pentan-2-yl]carbamate?
N-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxy-5-(iminoazaniumylideneamino)pentan-2-yl]carbamate has a molecular weight of 358.52 g/mol, XLogP of 1.25, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxy-5-(iminoazaniumylideneamino)pentan-2-yl]carbamate is sourced from PubChem (CID 90279637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).