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

C15H18N2O5 — CID 134845448

IUPAC(5R,7R)-8,9-dihydroxy-7-(phenylmethoxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)[C@]2(C[C@H](COCc3ccccc3)C(O)C2O)N1
InChIInChI=1S/C15H18N2O5/c18-11-10(8-22-7-9-4-2-1-3-5-9)6-15(12(11)19)13(20)16-14(21)17-15/h1-5,10-12,18-19H,6-8H2,(H2,16,17,20,21)/t10-,11?,12?,15-/m1/s1
InChIKeyFWMZFJPYDGFWTK-TVRADYJESA-N
MW306.32 g/mol
LogP-0.48
Rot. Bonds4

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

(5R,7R)-8,9-dihydroxy-7-(phenylmethoxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 134845448) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is (5R,7R)-8,9-dihydroxy-7-(phenylmethoxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5R,7R)-8,9-dihydroxy-7-(phenylmethoxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID134845448
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name(5R,7R)-8,9-dihydroxy-7-(phenylmethoxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)[C@]2(C[C@H](COCc3ccccc3)C(O)C2O)N1
InChIInChI=1S/C15H18N2O5/c18-11-10(8-22-7-9-4-2-1-3-5-9)6-15(12(11)19)13(20)16-14(21)17-15/h1-5,10-12,18-19H,6-8H2,(H2,16,17,20,21)/t10-,11?,12?,15-/m1/s1
InChIKeyFWMZFJPYDGFWTK-TVRADYJESA-N
XLogP-0.48
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-ol
CID 57425831
9-phenylmethoxy-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 75244463
trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 86340040
[(1R,2R)-4,4-difluoro-2-(phenylmethoxymethyl)cyclohexyl]methanol
CID 25130204
3,3-difluoro-4-(phenylmethoxymethyl)piperidin-2-one
CID 46176677
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
[(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene
CID 10878630
3-(phenylmethoxymethyl)cyclobutan-1-one
CID 11819850
[(7R,8R)-7-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol
CID 25130205
3,3-difluoro-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2-diol
CID 123956429
(2R)-2-(phenylmethoxymethyl)aziridine
CID 101263543
potassium trifluoro-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]boranuide
CID 135036909

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-8,9-dihydroxy-7-(phenylmethoxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5R,7R)-8,9-dihydroxy-7-(phenylmethoxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 134845448) is (5R,7R)-8,9-dihydroxy-7-(phenylmethoxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5R,7R)-8,9-dihydroxy-7-(phenylmethoxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5R,7R)-8,9-dihydroxy-7-(phenylmethoxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC(=O)[C@]2(C[C@H](COCc3ccccc3)C(O)C2O)N1.
What is the InChIKey of (5R,7R)-8,9-dihydroxy-7-(phenylmethoxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is FWMZFJPYDGFWTK-TVRADYJESA-N. The full InChI is InChI=1S/C15H18N2O5/c18-11-10(8-22-7-9-4-2-1-3-5-9)6-15(12(11)19)13(20)16-14(21)17-15/h1-5,10-12,18-19H,6-8H2,(H2,16,17,20,21)/t10-,11?,12?,15-/m1/s1.
What are the key properties of (5R,7R)-8,9-dihydroxy-7-(phenylmethoxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
(5R,7R)-8,9-dihydroxy-7-(phenylmethoxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 306.32 g/mol, XLogP of -0.48, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-8,9-dihydroxy-7-(phenylmethoxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 134845448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).