tert-butyl N-[3-hydroxy-1-[7-(1,3,4-oxadiazol-2-ylmethyl)-9-oxo-1,7-diazaspiro[4.4]nonan-1-yl]-1-oxobutan-2-yl]carbamate

C19H29N5O6 — CID 123543222

IUPACtert-butyl N-[3-hydroxy-1-[7-(1,3,4-oxadiazol-2-ylmethyl)-9-oxo-1,7-diazaspiro[4.4]nonan-1-yl]-1-oxobutan-2-yl]carbamate
SMILESCC(O)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(Cc1nnco1)CC2=O
InChIInChI=1S/C19H29N5O6/c1-12(25)15(21-17(28)30-18(2,3)4)16(27)24-7-5-6-19(24)10-23(8-13(19)26)9-14-22-20-11-29-14/h11-12,15,25H,5-10H2,1-4H3,(H,21,28)
InChIKeyIFEXUCOAASAXET-UHFFFAOYSA-N
MW423.47 g/mol
LogP0.09
Rot. Bonds5

About tert-butyl N-[3-hydroxy-1-[7-(1,3,4-oxadiazol-2-ylmethyl)-9-oxo-1,7-diazaspiro[4.4]nonan-1-yl]-1-oxobutan-2-yl]carbamate

tert-butyl N-[3-hydroxy-1-[7-(1,3,4-oxadiazol-2-ylmethyl)-9-oxo-1,7-diazaspiro[4.4]nonan-1-yl]-1-oxobutan-2-yl]carbamate (PubChem CID 123543222) has the molecular formula C19H29N5O6 and a molecular weight of 423.47 g/mol. Its IUPAC name is tert-butyl N-[3-hydroxy-1-[7-(1,3,4-oxadiazol-2-ylmethyl)-9-oxo-1,7-diazaspiro[4.4]nonan-1-yl]-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-hydroxy-1-[7-(1,3,4-oxadiazol-2-ylmethyl)-9-oxo-1,7-diazaspiro[4.4]nonan-1-yl]-1-oxobutan-2-yl]carbamate
PubChem CID123543222
Molecular FormulaC19H29N5O6
Molecular Weight423.47 g/mol
Exact Mass423.21
IUPAC Nametert-butyl N-[3-hydroxy-1-[7-(1,3,4-oxadiazol-2-ylmethyl)-9-oxo-1,7-diazaspiro[4.4]nonan-1-yl]-1-oxobutan-2-yl]carbamate
SMILESCC(O)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(Cc1nnco1)CC2=O
InChIInChI=1S/C19H29N5O6/c1-12(25)15(21-17(28)30-18(2,3)4)16(27)24-7-5-6-19(24)10-23(8-13(19)26)9-14-22-20-11-29-14/h11-12,15,25H,5-10H2,1-4H3,(H,21,28)
InChIKeyIFEXUCOAASAXET-UHFFFAOYSA-N
XLogP0.09
TPSA138.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[3-hydroxy-1-[7-(1,3,4-oxadiazol-2-ylmethyl)-9-oxo-1,7-diazaspiro[4.4]nonan-1-yl]-1-oxobutan-2-yl]carbamate with MolForge

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Related Compounds

[(2S,3R)-3-hydroxy-1-[2-(1,3,4-oxadiazol-2-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid
CID 135146421
tert-butyl N-[3-hydroxy-1-[2-(1,2,4-oxadiazol-5-ylmethyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate
CID 118593133
tert-butyl 2-[(1S,2R)-2-hydroxy-1-(1,3,4-oxadiazol-2-yl)propyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 78318153
methyl 2-[1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate
CID 59102586
N-[3-hydroxy-1-oxo-1-[3-oxo-2-(pyrimidin-2-ylmethyl)-2,5-diazaspiro[3.4]octan-5-yl]butan-2-yl]acetamide
CID 118593134
tert-butyl N-[(E,4S,7S)-7-benzyl-2-methyl-8-oxo-8-(2-oxo-4-azaspiro[2.4]heptan-4-yl)oct-5-en-4-yl]carbamate
CID 154951417
2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-[(1S,2R)-2-hydroxy-1-(1,3,4-oxadiazol-2-yl)propyl]acetamide
CID 118589488
2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-[(1S)-2-hydroxy-1-(1,3,4-oxadiazol-2-yl)propyl]acetamide
CID 144678630
tert-butyl 2-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 134486910
[C-[[5-[(3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-1-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]methyl]-N-methanimidoylcarbonimidoyl]oxidanium
CID 144678590
tert-butyl N-[3-(1,3,4-oxadiazol-2-ylmethyl)cyclobutyl]carbamate
CID 155352533
tert-butyl N-[1-[3-(1-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate
CID 114706348

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-hydroxy-1-[7-(1,3,4-oxadiazol-2-ylmethyl)-9-oxo-1,7-diazaspiro[4.4]nonan-1-yl]-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-hydroxy-1-[7-(1,3,4-oxadiazol-2-ylmethyl)-9-oxo-1,7-diazaspiro[4.4]nonan-1-yl]-1-oxobutan-2-yl]carbamate (CID 123543222) is tert-butyl N-[3-hydroxy-1-[7-(1,3,4-oxadiazol-2-ylmethyl)-9-oxo-1,7-diazaspiro[4.4]nonan-1-yl]-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-hydroxy-1-[7-(1,3,4-oxadiazol-2-ylmethyl)-9-oxo-1,7-diazaspiro[4.4]nonan-1-yl]-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-hydroxy-1-[7-(1,3,4-oxadiazol-2-ylmethyl)-9-oxo-1,7-diazaspiro[4.4]nonan-1-yl]-1-oxobutan-2-yl]carbamate is CC(O)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(Cc1nnco1)CC2=O.
What is the InChIKey of tert-butyl N-[3-hydroxy-1-[7-(1,3,4-oxadiazol-2-ylmethyl)-9-oxo-1,7-diazaspiro[4.4]nonan-1-yl]-1-oxobutan-2-yl]carbamate?
The InChIKey is IFEXUCOAASAXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O6/c1-12(25)15(21-17(28)30-18(2,3)4)16(27)24-7-5-6-19(24)10-23(8-13(19)26)9-14-22-20-11-29-14/h11-12,15,25H,5-10H2,1-4H3,(H,21,28).
What are the key properties of tert-butyl N-[3-hydroxy-1-[7-(1,3,4-oxadiazol-2-ylmethyl)-9-oxo-1,7-diazaspiro[4.4]nonan-1-yl]-1-oxobutan-2-yl]carbamate?
tert-butyl N-[3-hydroxy-1-[7-(1,3,4-oxadiazol-2-ylmethyl)-9-oxo-1,7-diazaspiro[4.4]nonan-1-yl]-1-oxobutan-2-yl]carbamate has a molecular weight of 423.47 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-hydroxy-1-[7-(1,3,4-oxadiazol-2-ylmethyl)-9-oxo-1,7-diazaspiro[4.4]nonan-1-yl]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 123543222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).