(5R,7R,8S,9R)-1,3-dibenzyl-8,9-dihydroxy-7-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

C22H24N2O5 — CID 11246468

IUPAC(5R,7R,8S,9R)-1,3-dibenzyl-8,9-dihydroxy-7-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1N(Cc2ccccc2)C(=O)[C@]2(C[C@H](CO)[C@H](O)[C@@H]2O)N1Cc1ccccc1
InChIInChI=1S/C22H24N2O5/c25-14-17-11-22(19(27)18(17)26)20(28)23(12-15-7-3-1-4-8-15)21(29)24(22)13-16-9-5-2-6-10-16/h1-10,17-19,25-27H,11-14H2/t17-,18+,19+,22-/m1/s1
InChIKeyAAQZJFPREXEMAK-MDPIYQRISA-N
MW396.44 g/mol
LogP1.12
Rot. Bonds5

About (5R,7R,8S,9R)-1,3-dibenzyl-8,9-dihydroxy-7-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

(5R,7R,8S,9R)-1,3-dibenzyl-8,9-dihydroxy-7-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 11246468) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is (5R,7R,8S,9R)-1,3-dibenzyl-8,9-dihydroxy-7-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5R,7R,8S,9R)-1,3-dibenzyl-8,9-dihydroxy-7-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID11246468
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name(5R,7R,8S,9R)-1,3-dibenzyl-8,9-dihydroxy-7-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1N(Cc2ccccc2)C(=O)[C@]2(C[C@H](CO)[C@H](O)[C@@H]2O)N1Cc1ccccc1
InChIInChI=1S/C22H24N2O5/c25-14-17-11-22(19(27)18(17)26)20(28)23(12-15-7-3-1-4-8-15)21(29)24(22)13-16-9-5-2-6-10-16/h1-10,17-19,25-27H,11-14H2/t17-,18+,19+,22-/m1/s1
InChIKeyAAQZJFPREXEMAK-MDPIYQRISA-N
XLogP1.12
TPSA101.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (5R,7R)-1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-7-carboxylate
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(3R,4R)-1-benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidin-2-one
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(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
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(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
(4R)-1-benzyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione
CID 100953267
(1S,2S,6R,7S,8S,9R)-4-benzyl-8-bromo-9-hydroxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98068854
1-benzyl-3,3-difluoro-5-hydroxypyrrolidin-2-one
CID 101435027
(2R,8S,9S)-4,6-dibenzyl-8,9-dihydroxy-7-[(4-hydroxyphenyl)methyl]-2-phenyl-4,6-diazaspiro[2.6]nonan-5-one
CID 142824004
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
(3S,4S,5S)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol;N-phenylaniline
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Frequently Asked Questions

What is the IUPAC name of (5R,7R,8S,9R)-1,3-dibenzyl-8,9-dihydroxy-7-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5R,7R,8S,9R)-1,3-dibenzyl-8,9-dihydroxy-7-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 11246468) is (5R,7R,8S,9R)-1,3-dibenzyl-8,9-dihydroxy-7-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5R,7R,8S,9R)-1,3-dibenzyl-8,9-dihydroxy-7-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5R,7R,8S,9R)-1,3-dibenzyl-8,9-dihydroxy-7-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1N(Cc2ccccc2)C(=O)[C@]2(C[C@H](CO)[C@H](O)[C@@H]2O)N1Cc1ccccc1.
What is the InChIKey of (5R,7R,8S,9R)-1,3-dibenzyl-8,9-dihydroxy-7-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is AAQZJFPREXEMAK-MDPIYQRISA-N. The full InChI is InChI=1S/C22H24N2O5/c25-14-17-11-22(19(27)18(17)26)20(28)23(12-15-7-3-1-4-8-15)21(29)24(22)13-16-9-5-2-6-10-16/h1-10,17-19,25-27H,11-14H2/t17-,18+,19+,22-/m1/s1.
What are the key properties of (5R,7R,8S,9R)-1,3-dibenzyl-8,9-dihydroxy-7-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
(5R,7R,8S,9R)-1,3-dibenzyl-8,9-dihydroxy-7-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 396.44 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R,8S,9R)-1,3-dibenzyl-8,9-dihydroxy-7-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 11246468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).