(5R,7S,8R,9R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione

C17H20N2O7 — CID 11810614

IUPAC(5R,7S,8R,9R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC1(C)OC[C@H]([C@H]2O[C@]3(NC(=O)N(c4ccccc4)C3=O)[C@H](O)[C@H]2O)O1
InChIInChI=1S/C17H20N2O7/c1-16(2)24-8-10(25-16)12-11(20)13(21)17(26-12)14(22)19(15(23)18-17)9-6-4-3-5-7-9/h3-7,10-13,20-21H,8H2,1-2H3,(H,18,23)/t10-,11+,12-,13-,17-/m1/s1
InChIKeyFKETXKLSSVKVCJ-QMZWZUABSA-N
MW364.35 g/mol
LogP-0.29
Rot. Bonds2

About (5R,7S,8R,9R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione

(5R,7S,8R,9R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 11810614) has the molecular formula C17H20N2O7 and a molecular weight of 364.35 g/mol. Its IUPAC name is (5R,7S,8R,9R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5R,7S,8R,9R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID11810614
Molecular FormulaC17H20N2O7
Molecular Weight364.35 g/mol
Exact Mass364.13
IUPAC Name(5R,7S,8R,9R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC1(C)OC[C@H]([C@H]2O[C@]3(NC(=O)N(c4ccccc4)C3=O)[C@H](O)[C@H]2O)O1
InChIInChI=1S/C17H20N2O7/c1-16(2)24-8-10(25-16)12-11(20)13(21)17(26-12)14(22)19(15(23)18-17)9-6-4-3-5-7-9/h3-7,10-13,20-21H,8H2,1-2H3,(H,18,23)/t10-,11+,12-,13-,17-/m1/s1
InChIKeyFKETXKLSSVKVCJ-QMZWZUABSA-N
XLogP-0.29
TPSA117.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (5R,7S,8R,9R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,7S,8R,9R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5R,7S,8R,9R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 11810614) is (5R,7S,8R,9R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5R,7S,8R,9R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5R,7S,8R,9R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione is CC1(C)OC[C@H]([C@H]2O[C@]3(NC(=O)N(c4ccccc4)C3=O)[C@H](O)[C@H]2O)O1.
What is the InChIKey of (5R,7S,8R,9R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is FKETXKLSSVKVCJ-QMZWZUABSA-N. The full InChI is InChI=1S/C17H20N2O7/c1-16(2)24-8-10(25-16)12-11(20)13(21)17(26-12)14(22)19(15(23)18-17)9-6-4-3-5-7-9/h3-7,10-13,20-21H,8H2,1-2H3,(H,18,23)/t10-,11+,12-,13-,17-/m1/s1.
What are the key properties of (5R,7S,8R,9R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
(5R,7S,8R,9R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 364.35 g/mol, XLogP of -0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S,8R,9R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 11810614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).