tert-butyl (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylate

C14H23N5O3 — CID 154676092

IUPACtert-butyl (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylate
SMILESC[C@H]1C[C@@H](Oc2cnc(NN)nc2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23N5O3/c1-9-5-10(8-19(9)13(20)22-14(2,3)4)21-11-6-16-12(18-15)17-7-11/h6-7,9-10H,5,8,15H2,1-4H3,(H,16,17,18)/t9-,10+/m0/s1
InChIKeyZIKIBBCMAAXNOS-VHSXEESVSA-N
MW309.37 g/mol
LogP1.54
Rot. Bonds3

About tert-butyl (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylate

tert-butyl (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylate (PubChem CID 154676092) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylate
PubChem CID154676092
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC Nametert-butyl (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylate
SMILESC[C@H]1C[C@@H](Oc2cnc(NN)nc2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23N5O3/c1-9-5-10(8-19(9)13(20)22-14(2,3)4)21-11-6-16-12(18-15)17-7-11/h6-7,9-10H,5,8,15H2,1-4H3,(H,16,17,18)/t9-,10+/m0/s1
InChIKeyZIKIBBCMAAXNOS-VHSXEESVSA-N
XLogP1.54
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylate (CID 154676092) is tert-butyl (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylate is C[C@H]1C[C@@H](Oc2cnc(NN)nc2)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylate?
The InChIKey is ZIKIBBCMAAXNOS-VHSXEESVSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-9-5-10(8-19(9)13(20)22-14(2,3)4)21-11-6-16-12(18-15)17-7-11/h6-7,9-10H,5,8,15H2,1-4H3,(H,16,17,18)/t9-,10+/m0/s1.
What are the key properties of tert-butyl (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-(2-hydrazinylpyrimidin-5-yl)oxy-2-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 154676092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).