methyl 5-benzyl-6-oxo-5-azaspiro[2.3]hexane-4-carboxylate

C14H15NO3 — CID 11322539

IUPACmethyl 5-benzyl-6-oxo-5-azaspiro[2.3]hexane-4-carboxylate
SMILESCOC(=O)C1N(Cc2ccccc2)C(=O)C12CC2
InChIInChI=1S/C14H15NO3/c1-18-12(16)11-14(7-8-14)13(17)15(11)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyVYDOKXOJCRFXGR-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.35
Rot. Bonds3

About methyl 5-benzyl-6-oxo-5-azaspiro[2.3]hexane-4-carboxylate

methyl 5-benzyl-6-oxo-5-azaspiro[2.3]hexane-4-carboxylate (PubChem CID 11322539) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 5-benzyl-6-oxo-5-azaspiro[2.3]hexane-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-benzyl-6-oxo-5-azaspiro[2.3]hexane-4-carboxylate
PubChem CID11322539
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 5-benzyl-6-oxo-5-azaspiro[2.3]hexane-4-carboxylate
SMILESCOC(=O)C1N(Cc2ccccc2)C(=O)C12CC2
InChIInChI=1S/C14H15NO3/c1-18-12(16)11-14(7-8-14)13(17)15(11)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyVYDOKXOJCRFXGR-UHFFFAOYSA-N
XLogP1.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 1-benzylazetidine-2-carboxylate
CID 4385248
Methyl 5-benzoyl-6-oxo-5-azaspiro[2.3]hexane-4-carboxylate
CID 11425422
Methyl 1-benzyl-3,3-dimethylazetidine-2-carboxylate
CID 15388752
(3R,4R)-1-benzyl-3-methyl-7-oxa-1-azaspiro[3.4]octane-2,8-dione
CID 132572078
methyl (2R)-1-[(4-fluorophenyl)methyl]-4-oxoazetidine-2-carboxylate
CID 49793952
(2S,3R)-1-benzyl-3-[(1R)-1-fluoroethyl]-4-oxoazetidine-2-carboxylic acid
CID 57041385
(2S,3R)-1-benzyl-3-(2-fluoroethyl)-4-oxoazetidine-2-carboxylic acid
CID 70439735
Ethyl 1-benzyl-4-oxoazetidine-2-carboxylate
CID 10879033
Diethyl 1-benzyl-4-oxoazetidine-2,2-dicarboxylate
CID 13505935
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617
Ethyl (rs)-2-(2-oxo-4-phenylazetidin-1-yl)acetate
CID 12396659
Methyl 1-benzyl-2-(3-methoxy-3-oxopropyl)-4-oxoazetidine-2-carboxylate
CID 101579357

Frequently Asked Questions

What is the IUPAC name of methyl 5-benzyl-6-oxo-5-azaspiro[2.3]hexane-4-carboxylate?
The IUPAC name of methyl 5-benzyl-6-oxo-5-azaspiro[2.3]hexane-4-carboxylate (CID 11322539) is methyl 5-benzyl-6-oxo-5-azaspiro[2.3]hexane-4-carboxylate.
What is the SMILES notation for methyl 5-benzyl-6-oxo-5-azaspiro[2.3]hexane-4-carboxylate?
The canonical SMILES for methyl 5-benzyl-6-oxo-5-azaspiro[2.3]hexane-4-carboxylate is COC(=O)C1N(Cc2ccccc2)C(=O)C12CC2.
What is the InChIKey of methyl 5-benzyl-6-oxo-5-azaspiro[2.3]hexane-4-carboxylate?
The InChIKey is VYDOKXOJCRFXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-18-12(16)11-14(7-8-14)13(17)15(11)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3.
What are the key properties of methyl 5-benzyl-6-oxo-5-azaspiro[2.3]hexane-4-carboxylate?
methyl 5-benzyl-6-oxo-5-azaspiro[2.3]hexane-4-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-benzyl-6-oxo-5-azaspiro[2.3]hexane-4-carboxylate is sourced from PubChem (CID 11322539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).