ethyl (3R,4R)-8-benzoyl-3-hydroxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

C19H24N2O5 — CID 118738486

IUPACethyl (3R,4R)-8-benzoyl-3-hydroxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCCOC(=O)[C@H]1[C@@H](O)C(=O)N(C)C12CCN(C(=O)c1ccccc1)CC2
InChIInChI=1S/C19H24N2O5/c1-3-26-18(25)14-15(22)17(24)20(2)19(14)9-11-21(12-10-19)16(23)13-7-5-4-6-8-13/h4-8,14-15,22H,3,9-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyMEHDUMLNZHFLRQ-HUUCEWRRSA-N
MW360.41 g/mol
LogP0.67
Rot. Bonds3

About ethyl (3R,4R)-8-benzoyl-3-hydroxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

ethyl (3R,4R)-8-benzoyl-3-hydroxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 118738486) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is ethyl (3R,4R)-8-benzoyl-3-hydroxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Nameethyl (3R,4R)-8-benzoyl-3-hydroxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
PubChem CID118738486
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Nameethyl (3R,4R)-8-benzoyl-3-hydroxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCCOC(=O)[C@H]1[C@@H](O)C(=O)N(C)C12CCN(C(=O)c1ccccc1)CC2
InChIInChI=1S/C19H24N2O5/c1-3-26-18(25)14-15(22)17(24)20(2)19(14)9-11-21(12-10-19)16(23)13-7-5-4-6-8-13/h4-8,14-15,22H,3,9-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyMEHDUMLNZHFLRQ-HUUCEWRRSA-N
XLogP0.67
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (3R,4R)-8-benzoyl-3-hydroxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate with MolForge

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Related Compounds

8-O-butyl 4-O-ethyl (3R,4R)-1-benzyl-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate
CID 134786315
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
ethyl 9-benzoyl-2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,9-diazaspiro[5.5]undecane-3-carboxylate
CID 123243362
4-O-ethyl 8-O-(2-methylpropyl) (3R,4S)-3-methoxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate
CID 134786235
8-benzoyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxylic acid
CID 53212527
ethyl 4-benzoylpiperazine-2-carboxylate
CID 18412087
ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825
ethyl 1-benzoyl-6,6-dimethyl-4-oxopiperidine-3-carboxylate
CID 118991717
ethyl 1-benzoylaziridine-2-carboxylate
CID 121014721
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 97394794
[(3R)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 97394793
trans-diethyl (1S,2S)-3-phenyl-3-piperidin-1-ylcyclopropane-1,2-dicarboxylate
CID 102389050

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,4R)-8-benzoyl-3-hydroxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The IUPAC name of ethyl (3R,4R)-8-benzoyl-3-hydroxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 118738486) is ethyl (3R,4R)-8-benzoyl-3-hydroxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for ethyl (3R,4R)-8-benzoyl-3-hydroxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for ethyl (3R,4R)-8-benzoyl-3-hydroxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate is CCOC(=O)[C@H]1[C@@H](O)C(=O)N(C)C12CCN(C(=O)c1ccccc1)CC2.
What is the InChIKey of ethyl (3R,4R)-8-benzoyl-3-hydroxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The InChIKey is MEHDUMLNZHFLRQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-3-26-18(25)14-15(22)17(24)20(2)19(14)9-11-21(12-10-19)16(23)13-7-5-4-6-8-13/h4-8,14-15,22H,3,9-12H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of ethyl (3R,4R)-8-benzoyl-3-hydroxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
ethyl (3R,4R)-8-benzoyl-3-hydroxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 360.41 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,4R)-8-benzoyl-3-hydroxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 118738486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).