benzyl 2-[(9S)-11-oxo-9-phenyl-6,10-diazaspiro[4.6]undecan-10-yl]acetate

C24H28N2O3 — CID 86616407

IUPACbenzyl 2-[(9S)-11-oxo-9-phenyl-6,10-diazaspiro[4.6]undecan-10-yl]acetate
SMILESO=C(CN1C(=O)C2(CCCC2)NCC[C@H]1c1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H28N2O3/c27-22(29-18-19-9-3-1-4-10-19)17-26-21(20-11-5-2-6-12-20)13-16-25-24(23(26)28)14-7-8-15-24/h1-6,9-12,21,25H,7-8,13-18H2/t21-/m0/s1
InChIKeyMPKAVGVHNYQOFL-NRFANRHFSA-N
MW392.50 g/mol
LogP3.61
Rot. Bonds5

About benzyl 2-[(9S)-11-oxo-9-phenyl-6,10-diazaspiro[4.6]undecan-10-yl]acetate

benzyl 2-[(9S)-11-oxo-9-phenyl-6,10-diazaspiro[4.6]undecan-10-yl]acetate (PubChem CID 86616407) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is benzyl 2-[(9S)-11-oxo-9-phenyl-6,10-diazaspiro[4.6]undecan-10-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[(9S)-11-oxo-9-phenyl-6,10-diazaspiro[4.6]undecan-10-yl]acetate
PubChem CID86616407
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Namebenzyl 2-[(9S)-11-oxo-9-phenyl-6,10-diazaspiro[4.6]undecan-10-yl]acetate
SMILESO=C(CN1C(=O)C2(CCCC2)NCC[C@H]1c1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H28N2O3/c27-22(29-18-19-9-3-1-4-10-19)17-26-21(20-11-5-2-6-12-20)13-16-25-24(23(26)28)14-7-8-15-24/h1-6,9-12,21,25H,7-8,13-18H2/t21-/m0/s1
InChIKeyMPKAVGVHNYQOFL-NRFANRHFSA-N
XLogP3.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 2-[(9S)-11-oxo-9-phenyl-6,10-diazaspiro[4.6]undecan-10-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl (7aR)-1,2,3,3a,4,5,6,7-octahydroindole-7a-carboxylate
CID 70554179
benzyl 2-(azetidin-1-yl)acetate
CID 140980014
benzyl (4R)-1-oxo-4-phenyl-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 124560426
benzyl 2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl)acetate
CID 53388993
benzyl 2-[4-(2-oxo-2-phenylmethoxyethyl)-1,4-diazepan-1-yl]acetate
CID 101385594
benzyl 2-oxo-4-phenylazetidine-1-carboxylate
CID 11323488
benzyl 3-[(2S)-pyrrolidin-2-yl]propanoate
CID 58375773
(4-methylsulfanylphenyl)methyl 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 9011202
benzyl 2-[(3S)-3-amino-2-oxo-3-(2-phenylethyl)piperidin-1-yl]acetate
CID 174402054
methyl 2-[(2S,5S)-5-(2-methoxy-2-oxoethyl)-3,6-dioxo-1,4-bis(2-oxo-2-phenylmethoxyethyl)piperazin-2-yl]acetate
CID 11215029
benzyl 3-(6-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)propanoate
CID 135183084
benzyl 2-(2,4,6-trioxo-1,3-diazinan-5-yl)acetate
CID 146279077

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(9S)-11-oxo-9-phenyl-6,10-diazaspiro[4.6]undecan-10-yl]acetate?
The IUPAC name of benzyl 2-[(9S)-11-oxo-9-phenyl-6,10-diazaspiro[4.6]undecan-10-yl]acetate (CID 86616407) is benzyl 2-[(9S)-11-oxo-9-phenyl-6,10-diazaspiro[4.6]undecan-10-yl]acetate.
What is the SMILES notation for benzyl 2-[(9S)-11-oxo-9-phenyl-6,10-diazaspiro[4.6]undecan-10-yl]acetate?
The canonical SMILES for benzyl 2-[(9S)-11-oxo-9-phenyl-6,10-diazaspiro[4.6]undecan-10-yl]acetate is O=C(CN1C(=O)C2(CCCC2)NCC[C@H]1c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(9S)-11-oxo-9-phenyl-6,10-diazaspiro[4.6]undecan-10-yl]acetate?
The InChIKey is MPKAVGVHNYQOFL-NRFANRHFSA-N. The full InChI is InChI=1S/C24H28N2O3/c27-22(29-18-19-9-3-1-4-10-19)17-26-21(20-11-5-2-6-12-20)13-16-25-24(23(26)28)14-7-8-15-24/h1-6,9-12,21,25H,7-8,13-18H2/t21-/m0/s1.
What are the key properties of benzyl 2-[(9S)-11-oxo-9-phenyl-6,10-diazaspiro[4.6]undecan-10-yl]acetate?
benzyl 2-[(9S)-11-oxo-9-phenyl-6,10-diazaspiro[4.6]undecan-10-yl]acetate has a molecular weight of 392.50 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(9S)-11-oxo-9-phenyl-6,10-diazaspiro[4.6]undecan-10-yl]acetate is sourced from PubChem (CID 86616407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).