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

C15H30N4O4Si — CID 90279636

IUPAC[(2R,3S,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamic acid
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/h10-13,18,20H,6-9H2,1-5H3,(H,21,22)/t11-,12-,13+/m1/s1
InChIKeyGVMPZODYNRBKDH-UPJWGTAASA-N
MW358.52 g/mol
LogP3.34
Rot. Bonds9

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

[(2R,3S,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamic acid (PubChem CID 90279636) has the molecular formula C15H30N4O4Si and a molecular weight of 358.52 g/mol. Its IUPAC name is [(2R,3S,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R,3S,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamic acid
PubChem CID90279636
Molecular FormulaC15H30N4O4Si
Molecular Weight358.52 g/mol
Exact Mass358.20
IUPAC Name[(2R,3S,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamic acid
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/h10-13,18,20H,6-9H2,1-5H3,(H,21,22)/t11-,12-,13+/m1/s1
InChIKeyGVMPZODYNRBKDH-UPJWGTAASA-N
XLogP3.34
TPSA127.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 [(2R,3S,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamic acid?
The IUPAC name of [(2R,3S,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamic acid (CID 90279636) is [(2R,3S,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamic acid.
What is the SMILES notation for [(2R,3S,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamic acid?
The canonical SMILES for [(2R,3S,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamic acid 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 [(2R,3S,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamic acid?
The InChIKey is GVMPZODYNRBKDH-UPJWGTAASA-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/h10-13,18,20H,6-9H2,1-5H3,(H,21,22)/t11-,12-,13+/m1/s1.
What are the key properties of [(2R,3S,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamic acid?
[(2R,3S,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamic acid has a molecular weight of 358.52 g/mol, XLogP of 3.34, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamic acid is sourced from PubChem (CID 90279636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).