(2S,5R)-7-benzyl-2-(hydroxymethyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione

C15H18N2O4 — CID 100969823

IUPAC(2S,5R)-7-benzyl-2-(hydroxymethyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione
SMILESO=C1CN(Cc2ccccc2)C(=O)[C@]2(CC[C@@H](CO)O2)N1
InChIInChI=1S/C15H18N2O4/c18-10-12-6-7-15(21-12)14(20)17(9-13(19)16-15)8-11-4-2-1-3-5-11/h1-5,12,18H,6-10H2,(H,16,19)/t12-,15+/m0/s1
InChIKeyVEFGOAYEWCZWHY-SWLSCSKDSA-N
MW290.32 g/mol
LogP0.01
Rot. Bonds3

About (2S,5R)-7-benzyl-2-(hydroxymethyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione

(2S,5R)-7-benzyl-2-(hydroxymethyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione (PubChem CID 100969823) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2S,5R)-7-benzyl-2-(hydroxymethyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione.

Molecular Properties

Compound Name(2S,5R)-7-benzyl-2-(hydroxymethyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione
PubChem CID100969823
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(2S,5R)-7-benzyl-2-(hydroxymethyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione
SMILESO=C1CN(Cc2ccccc2)C(=O)[C@]2(CC[C@@H](CO)O2)N1
InChIInChI=1S/C15H18N2O4/c18-10-12-6-7-15(21-12)14(20)17(9-13(19)16-15)8-11-4-2-1-3-5-11/h1-5,12,18H,6-10H2,(H,16,19)/t12-,15+/m0/s1
InChIKeyVEFGOAYEWCZWHY-SWLSCSKDSA-N
XLogP0.01
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S,5R)-N-benzhydryl-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxamide
CID 155562611
Benzylaminocarbonyl deoxyuridine
CID 129752505
(5S,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]decan-4-one
CID 138454277
(2R,5S)-5-[4-[(4-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]oxolane-2-carboxylic acid
CID 121776016
(2R,5S)-5-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamoyl]oxolane-2-carboxylic acid
CID 121776048
(2R,5S)-5-[[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid
CID 121777893
(2S,5S)-7-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione
CID 10597384
(2S,5R)-7-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione
CID 10621264
(6R,9S)-4-benzyl-9-[tert-butyl(dimethyl)silyl]oxy-7-oxa-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 10621265
(2S,5S)-7-benzyl-2-(hydroxymethyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione
CID 10779850
9-Benzyl-1-oxa-6,9-diazaspiro[4.5]decane-7,10-dione
CID 12728438
9-Benzyl-1-oxa-6,9-diazaspiro[4.5]decane-7,8,10-trione
CID 13157610

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-7-benzyl-2-(hydroxymethyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione?
The IUPAC name of (2S,5R)-7-benzyl-2-(hydroxymethyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione (CID 100969823) is (2S,5R)-7-benzyl-2-(hydroxymethyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione.
What is the SMILES notation for (2S,5R)-7-benzyl-2-(hydroxymethyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione?
The canonical SMILES for (2S,5R)-7-benzyl-2-(hydroxymethyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione is O=C1CN(Cc2ccccc2)C(=O)[C@]2(CC[C@@H](CO)O2)N1.
What is the InChIKey of (2S,5R)-7-benzyl-2-(hydroxymethyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione?
The InChIKey is VEFGOAYEWCZWHY-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-10-12-6-7-15(21-12)14(20)17(9-13(19)16-15)8-11-4-2-1-3-5-11/h1-5,12,18H,6-10H2,(H,16,19)/t12-,15+/m0/s1.
What are the key properties of (2S,5R)-7-benzyl-2-(hydroxymethyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione?
(2S,5R)-7-benzyl-2-(hydroxymethyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione has a molecular weight of 290.32 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-7-benzyl-2-(hydroxymethyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione is sourced from PubChem (CID 100969823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).