tert-butyl (4R,5S)-4-(hydroxymethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate

C13H22N2O4 — CID 97111728

IUPACtert-butyl (4R,5S)-4-(hydroxymethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@]2(C1)C(=O)NC[C@@H]2CO
InChIInChI=1S/C13H22N2O4/c1-12(2,3)19-11(18)15-5-4-13(8-15)9(7-16)6-14-10(13)17/h9,16H,4-8H2,1-3H3,(H,14,17)/t9-,13-/m1/s1
InChIKeyQEMZDNGDJSMWFR-NOZJJQNGSA-N
MW270.33 g/mol
LogP0.35
Rot. Bonds1

About tert-butyl (4R,5S)-4-(hydroxymethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate

tert-butyl (4R,5S)-4-(hydroxymethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate (PubChem CID 97111728) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is tert-butyl (4R,5S)-4-(hydroxymethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R,5S)-4-(hydroxymethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
PubChem CID97111728
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Nametert-butyl (4R,5S)-4-(hydroxymethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@]2(C1)C(=O)NC[C@@H]2CO
InChIInChI=1S/C13H22N2O4/c1-12(2,3)19-11(18)15-5-4-13(8-15)9(7-16)6-14-10(13)17/h9,16H,4-8H2,1-3H3,(H,14,17)/t9-,13-/m1/s1
InChIKeyQEMZDNGDJSMWFR-NOZJJQNGSA-N
XLogP0.35
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl (4R,5S)-4-(hydroxymethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate with MolForge

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Related Compounds

tert-butyl (4R,5R)-4-(hydroxymethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 97111729
tert-butyl 4-hydroxy-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 86709491
tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 86330800
tert-butyl 11-methyl-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 130625530
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 86326950
tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 45074355
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate
CID 124518584
tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 59373529
tert-butyl 7,9-dimethyl-8-oxo-2-azaspiro[4.5]decane-2-carboxylate
CID 134201957
tert-butyl 2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 10015278
tert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate
CID 56973607
tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 71630502

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R,5S)-4-(hydroxymethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate?
The IUPAC name of tert-butyl (4R,5S)-4-(hydroxymethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate (CID 97111728) is tert-butyl (4R,5S)-4-(hydroxymethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl (4R,5S)-4-(hydroxymethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate?
The canonical SMILES for tert-butyl (4R,5S)-4-(hydroxymethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CC[C@]2(C1)C(=O)NC[C@@H]2CO.
What is the InChIKey of tert-butyl (4R,5S)-4-(hydroxymethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate?
The InChIKey is QEMZDNGDJSMWFR-NOZJJQNGSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-12(2,3)19-11(18)15-5-4-13(8-15)9(7-16)6-14-10(13)17/h9,16H,4-8H2,1-3H3,(H,14,17)/t9-,13-/m1/s1.
What are the key properties of tert-butyl (4R,5S)-4-(hydroxymethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate?
tert-butyl (4R,5S)-4-(hydroxymethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R,5S)-4-(hydroxymethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate is sourced from PubChem (CID 97111728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).