tert-butyl 2-[(5-benzoyl-6-oxo-5-azaspiro[2.3]hexane-4-carbonyl)amino]acetate

C19H22N2O5 — CID 11210545

IUPACtert-butyl 2-[(5-benzoyl-6-oxo-5-azaspiro[2.3]hexane-4-carbonyl)amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)C1N(C(=O)c2ccccc2)C(=O)C12CC2
InChIInChI=1S/C19H22N2O5/c1-18(2,3)26-13(22)11-20-15(23)14-19(9-10-19)17(25)21(14)16(24)12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3,(H,20,23)
InChIKeyIAVLASNQAHWYHF-UHFFFAOYSA-N
MW358.39 g/mol
LogP1.28
Rot. Bonds4

About tert-butyl 2-[(5-benzoyl-6-oxo-5-azaspiro[2.3]hexane-4-carbonyl)amino]acetate

tert-butyl 2-[(5-benzoyl-6-oxo-5-azaspiro[2.3]hexane-4-carbonyl)amino]acetate (PubChem CID 11210545) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is tert-butyl 2-[(5-benzoyl-6-oxo-5-azaspiro[2.3]hexane-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(5-benzoyl-6-oxo-5-azaspiro[2.3]hexane-4-carbonyl)amino]acetate
PubChem CID11210545
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Nametert-butyl 2-[(5-benzoyl-6-oxo-5-azaspiro[2.3]hexane-4-carbonyl)amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)C1N(C(=O)c2ccccc2)C(=O)C12CC2
InChIInChI=1S/C19H22N2O5/c1-18(2,3)26-13(22)11-20-15(23)14-19(9-10-19)17(25)21(14)16(24)12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3,(H,20,23)
InChIKeyIAVLASNQAHWYHF-UHFFFAOYSA-N
XLogP1.28
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[(1'-benzyl-1,3-dioxospiro[naphthalene-4,4'-piperidine]-2-carbonyl)amino]acetate
CID 90785218
methyl (2S,3R,4S)-1-benzoyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-phenoxypyrrolidine-2-carboxylate
CID 58003730
tert-butyl 2-[benzoyl(methyl)amino]acetate
CID 78991310
tert-butyl 2-[(2S,4R)-3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl]acetate
CID 134870526
tert-butyl N-[(1-benzoyl-4-fluoropiperidin-4-yl)methyl]carbamate
CID 67231354
tert-butyl 2-[[(2S)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino]acetate
CID 67626027
tert-butyl 2-[(4-phenylcyclohexyl)amino]acetate
CID 13312583
methyl (2S,3R)-1-benzoyl-4-hydroxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-prop-1-en-2-ylpyrrolidine-2-carboxylate
CID 11258184
tert-butyl (4S)-2-oxo-4-phenylazetidine-1-carboxylate
CID 42598467
tert-butyl 3-[(2R,4S)-3-benzoyl-2-methyl-2-phenyl-1,3-oxazolidin-4-yl]propanoate
CID 23246065
benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 13118734
methyl 2-[[(2S,3aR,7aR)-1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]acetate
CID 124776472

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(5-benzoyl-6-oxo-5-azaspiro[2.3]hexane-4-carbonyl)amino]acetate?
The IUPAC name of tert-butyl 2-[(5-benzoyl-6-oxo-5-azaspiro[2.3]hexane-4-carbonyl)amino]acetate (CID 11210545) is tert-butyl 2-[(5-benzoyl-6-oxo-5-azaspiro[2.3]hexane-4-carbonyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(5-benzoyl-6-oxo-5-azaspiro[2.3]hexane-4-carbonyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(5-benzoyl-6-oxo-5-azaspiro[2.3]hexane-4-carbonyl)amino]acetate is CC(C)(C)OC(=O)CNC(=O)C1N(C(=O)c2ccccc2)C(=O)C12CC2.
What is the InChIKey of tert-butyl 2-[(5-benzoyl-6-oxo-5-azaspiro[2.3]hexane-4-carbonyl)amino]acetate?
The InChIKey is IAVLASNQAHWYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-18(2,3)26-13(22)11-20-15(23)14-19(9-10-19)17(25)21(14)16(24)12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3,(H,20,23).
What are the key properties of tert-butyl 2-[(5-benzoyl-6-oxo-5-azaspiro[2.3]hexane-4-carbonyl)amino]acetate?
tert-butyl 2-[(5-benzoyl-6-oxo-5-azaspiro[2.3]hexane-4-carbonyl)amino]acetate has a molecular weight of 358.39 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(5-benzoyl-6-oxo-5-azaspiro[2.3]hexane-4-carbonyl)amino]acetate is sourced from PubChem (CID 11210545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).