tert-butyl 2-[(2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate

C16H24N4O5 — CID 90329980

IUPACtert-butyl 2-[(2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
SMILESC[C@@H](O)C(c1ncno1)N1CC2(CCCN2C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C16H24N4O5/c1-10(21)11(12-17-9-18-25-12)19-8-16(13(19)22)6-5-7-20(16)14(23)24-15(2,3)4/h9-11,21H,5-8H2,1-4H3/t10-,11?,16?/m1/s1
InChIKeyMTXISBAKMGJKNQ-VHTNMKBUSA-N
MW352.39 g/mol
LogP1.10
Rot. Bonds3

About tert-butyl 2-[(2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate

tert-butyl 2-[(2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate (PubChem CID 90329980) has the molecular formula C16H24N4O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is tert-butyl 2-[(2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
PubChem CID90329980
Molecular FormulaC16H24N4O5
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC Nametert-butyl 2-[(2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
SMILESC[C@@H](O)C(c1ncno1)N1CC2(CCCN2C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C16H24N4O5/c1-10(21)11(12-17-9-18-25-12)19-8-16(13(19)22)6-5-7-20(16)14(23)24-15(2,3)4/h9-11,21H,5-8H2,1-4H3/t10-,11?,16?/m1/s1
InChIKeyMTXISBAKMGJKNQ-VHTNMKBUSA-N
XLogP1.10
TPSA109.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate?
The IUPAC name of tert-butyl 2-[(2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate (CID 90329980) is tert-butyl 2-[(2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate.
What is the SMILES notation for tert-butyl 2-[(2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate?
The canonical SMILES for tert-butyl 2-[(2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate is C[C@@H](O)C(c1ncno1)N1CC2(CCCN2C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl 2-[(2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate?
The InChIKey is MTXISBAKMGJKNQ-VHTNMKBUSA-N. The full InChI is InChI=1S/C16H24N4O5/c1-10(21)11(12-17-9-18-25-12)19-8-16(13(19)22)6-5-7-20(16)14(23)24-15(2,3)4/h9-11,21H,5-8H2,1-4H3/t10-,11?,16?/m1/s1.
What are the key properties of tert-butyl 2-[(2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate?
tert-butyl 2-[(2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate is sourced from PubChem (CID 90329980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).