tert-butyl 7-(1-amino-3-hydroxy-3-methyl-1-oxobutan-2-yl)oxy-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate

C17H29N3O6 — CID 167163701

IUPACtert-butyl 7-(1-amino-3-hydroxy-3-methyl-1-oxobutan-2-yl)oxy-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC12CCN(OC(C(N)=O)C(C)(C)O)C2=O
InChIInChI=1S/C17H29N3O6/c1-15(2,3)25-14(23)19-9-6-7-17(19)8-10-20(13(17)22)26-11(12(18)21)16(4,5)24/h11,24H,6-10H2,1-5H3,(H2,18,21)
InChIKeyYNSWGRZRAPBNBL-UHFFFAOYSA-N
MW371.43 g/mol
LogP0.54
Rot. Bonds4

About tert-butyl 7-(1-amino-3-hydroxy-3-methyl-1-oxobutan-2-yl)oxy-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate

tert-butyl 7-(1-amino-3-hydroxy-3-methyl-1-oxobutan-2-yl)oxy-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate (PubChem CID 167163701) has the molecular formula C17H29N3O6 and a molecular weight of 371.43 g/mol. Its IUPAC name is tert-butyl 7-(1-amino-3-hydroxy-3-methyl-1-oxobutan-2-yl)oxy-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-(1-amino-3-hydroxy-3-methyl-1-oxobutan-2-yl)oxy-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
PubChem CID167163701
Molecular FormulaC17H29N3O6
Molecular Weight371.43 g/mol
Exact Mass371.21
IUPAC Nametert-butyl 7-(1-amino-3-hydroxy-3-methyl-1-oxobutan-2-yl)oxy-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC12CCN(OC(C(N)=O)C(C)(C)O)C2=O
InChIInChI=1S/C17H29N3O6/c1-15(2,3)25-14(23)19-9-6-7-17(19)8-10-20(13(17)22)26-11(12(18)21)16(4,5)24/h11,24H,6-10H2,1-5H3,(H2,18,21)
InChIKeyYNSWGRZRAPBNBL-UHFFFAOYSA-N
XLogP0.54
TPSA122.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 7-(1-amino-3-hydroxy-3-methyl-1-oxobutan-2-yl)oxy-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 7-[(2S)-3-cyclopropyl-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 162478854
2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid
CID 24805629
tert-butyl (5S)-9-[(2R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate
CID 10905991
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
tert-butyl 7-(6-amino-3-pyridinyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 67354954
tert-butyl (5R)-6-oxo-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 73013452
tert-butyl 10-methyl-11-oxo-1,10-diazaspiro[4.6]undec-7-ene-1-carboxylate
CID 139371603
tert-butyl (5R)-8-hydroxy-9-(2-methoxy-2-oxoethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate
CID 24805627
2-[[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]oxy]-3-hydroxypropanamide
CID 167163716
3-hydroxy-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid
CID 135315576
tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate
CID 102146444
tert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate
CID 139383963

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(1-amino-3-hydroxy-3-methyl-1-oxobutan-2-yl)oxy-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate?
The IUPAC name of tert-butyl 7-(1-amino-3-hydroxy-3-methyl-1-oxobutan-2-yl)oxy-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate (CID 167163701) is tert-butyl 7-(1-amino-3-hydroxy-3-methyl-1-oxobutan-2-yl)oxy-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate.
What is the SMILES notation for tert-butyl 7-(1-amino-3-hydroxy-3-methyl-1-oxobutan-2-yl)oxy-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate?
The canonical SMILES for tert-butyl 7-(1-amino-3-hydroxy-3-methyl-1-oxobutan-2-yl)oxy-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate is CC(C)(C)OC(=O)N1CCCC12CCN(OC(C(N)=O)C(C)(C)O)C2=O.
What is the InChIKey of tert-butyl 7-(1-amino-3-hydroxy-3-methyl-1-oxobutan-2-yl)oxy-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate?
The InChIKey is YNSWGRZRAPBNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O6/c1-15(2,3)25-14(23)19-9-6-7-17(19)8-10-20(13(17)22)26-11(12(18)21)16(4,5)24/h11,24H,6-10H2,1-5H3,(H2,18,21).
What are the key properties of tert-butyl 7-(1-amino-3-hydroxy-3-methyl-1-oxobutan-2-yl)oxy-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate?
tert-butyl 7-(1-amino-3-hydroxy-3-methyl-1-oxobutan-2-yl)oxy-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate has a molecular weight of 371.43 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(1-amino-3-hydroxy-3-methyl-1-oxobutan-2-yl)oxy-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate is sourced from PubChem (CID 167163701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).