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

C23H30N2O5 — CID 134786325

IUPACethyl (3R,4R)-1-benzyl-8-(cyclobutanecarbonyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCCOC(=O)[C@H]1[C@@H](O)C(=O)N(Cc2ccccc2)C12CCN(C(=O)C1CCC1)CC2
InChIInChI=1S/C23H30N2O5/c1-2-30-22(29)18-19(26)21(28)25(15-16-7-4-3-5-8-16)23(18)11-13-24(14-12-23)20(27)17-9-6-10-17/h3-5,7-8,17-19,26H,2,6,9-15H2,1H3/t18-,19-/m1/s1
InChIKeyJFZFIBLSDOYOQQ-RTBURBONSA-N
MW414.50 g/mol
LogP1.73
Rot. Bonds5

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

ethyl (3R,4R)-1-benzyl-8-(cyclobutanecarbonyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 134786325) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is ethyl (3R,4R)-1-benzyl-8-(cyclobutanecarbonyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Nameethyl (3R,4R)-1-benzyl-8-(cyclobutanecarbonyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
PubChem CID134786325
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Nameethyl (3R,4R)-1-benzyl-8-(cyclobutanecarbonyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCCOC(=O)[C@H]1[C@@H](O)C(=O)N(Cc2ccccc2)C12CCN(C(=O)C1CCC1)CC2
InChIInChI=1S/C23H30N2O5/c1-2-30-22(29)18-19(26)21(28)25(15-16-7-4-3-5-8-16)23(18)11-13-24(14-12-23)20(27)17-9-6-10-17/h3-5,7-8,17-19,26H,2,6,9-15H2,1H3/t18-,19-/m1/s1
InChIKeyJFZFIBLSDOYOQQ-RTBURBONSA-N
XLogP1.73
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R,4R)-1-benzyl-8-(cyclobutanecarbonyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The IUPAC name of ethyl (3R,4R)-1-benzyl-8-(cyclobutanecarbonyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 134786325) is ethyl (3R,4R)-1-benzyl-8-(cyclobutanecarbonyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for ethyl (3R,4R)-1-benzyl-8-(cyclobutanecarbonyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for ethyl (3R,4R)-1-benzyl-8-(cyclobutanecarbonyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate is CCOC(=O)[C@H]1[C@@H](O)C(=O)N(Cc2ccccc2)C12CCN(C(=O)C1CCC1)CC2.
What is the InChIKey of ethyl (3R,4R)-1-benzyl-8-(cyclobutanecarbonyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The InChIKey is JFZFIBLSDOYOQQ-RTBURBONSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-2-30-22(29)18-19(26)21(28)25(15-16-7-4-3-5-8-16)23(18)11-13-24(14-12-23)20(27)17-9-6-10-17/h3-5,7-8,17-19,26H,2,6,9-15H2,1H3/t18-,19-/m1/s1.
What are the key properties of ethyl (3R,4R)-1-benzyl-8-(cyclobutanecarbonyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
ethyl (3R,4R)-1-benzyl-8-(cyclobutanecarbonyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 414.50 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,4R)-1-benzyl-8-(cyclobutanecarbonyl)-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 134786325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).