methyl (2R,3R)-3-azido-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate

C19H28N4O3 — CID 102140721

IUPACmethyl (2R,3R)-3-azido-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
SMILESCOC(=O)[C@H](ON1C(C)(C)CCCC1(C)C)[C@H](N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C19H28N4O3/c1-18(2)12-9-13-19(3,4)23(18)26-16(17(24)25-5)15(21-22-20)14-10-7-6-8-11-14/h6-8,10-11,15-16H,9,12-13H2,1-5H3/t15-,16-/m1/s1
InChIKeyFQLYBIRUOBWOTL-HZPDHXFCSA-N
MW360.46 g/mol
LogP4.55
Rot. Bonds6

About methyl (2R,3R)-3-azido-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate

methyl (2R,3R)-3-azido-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate (PubChem CID 102140721) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is methyl (2R,3R)-3-azido-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-azido-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
PubChem CID102140721
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Namemethyl (2R,3R)-3-azido-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
SMILESCOC(=O)[C@H](ON1C(C)(C)CCCC1(C)C)[C@H](N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C19H28N4O3/c1-18(2)12-9-13-19(3,4)23(18)26-16(17(24)25-5)15(21-22-20)14-10-7-6-8-11-14/h6-8,10-11,15-16H,9,12-13H2,1-5H3/t15-,16-/m1/s1
InChIKeyFQLYBIRUOBWOTL-HZPDHXFCSA-N
XLogP4.55
TPSA87.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.55
H-Bond Donors ≤ 50
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-azido-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate?
The IUPAC name of methyl (2R,3R)-3-azido-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate (CID 102140721) is methyl (2R,3R)-3-azido-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate.
What is the SMILES notation for methyl (2R,3R)-3-azido-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate?
The canonical SMILES for methyl (2R,3R)-3-azido-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate is COC(=O)[C@H](ON1C(C)(C)CCCC1(C)C)[C@H](N=[N+]=[N-])c1ccccc1.
What is the InChIKey of methyl (2R,3R)-3-azido-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate?
The InChIKey is FQLYBIRUOBWOTL-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-18(2)12-9-13-19(3,4)23(18)26-16(17(24)25-5)15(21-22-20)14-10-7-6-8-11-14/h6-8,10-11,15-16H,9,12-13H2,1-5H3/t15-,16-/m1/s1.
What are the key properties of methyl (2R,3R)-3-azido-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate?
methyl (2R,3R)-3-azido-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate has a molecular weight of 360.46 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-azido-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate is sourced from PubChem (CID 102140721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).