(3R,4R)-1-benzyl-3-methyl-7-oxa-1-azaspiro[3.4]octane-2,8-dione

C14H15NO3 — CID 132572078

IUPAC(3R,4R)-1-benzyl-3-methyl-7-oxa-1-azaspiro[3.4]octane-2,8-dione
SMILESC[C@H]1C(=O)N(Cc2ccccc2)[C@]12CCOC2=O
InChIInChI=1S/C14H15NO3/c1-10-12(16)15(9-11-5-3-2-4-6-11)14(10)7-8-18-13(14)17/h2-6,10H,7-9H2,1H3/t10-,14+/m0/s1
InChIKeyBJSMFMJXITVAJZ-IINYFYTJSA-N
MW245.28 g/mol
LogP1.35
Rot. Bonds2

About (3R,4R)-1-benzyl-3-methyl-7-oxa-1-azaspiro[3.4]octane-2,8-dione

(3R,4R)-1-benzyl-3-methyl-7-oxa-1-azaspiro[3.4]octane-2,8-dione (PubChem CID 132572078) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-3-methyl-7-oxa-1-azaspiro[3.4]octane-2,8-dione.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-3-methyl-7-oxa-1-azaspiro[3.4]octane-2,8-dione
PubChem CID132572078
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name(3R,4R)-1-benzyl-3-methyl-7-oxa-1-azaspiro[3.4]octane-2,8-dione
SMILESC[C@H]1C(=O)N(Cc2ccccc2)[C@]12CCOC2=O
InChIInChI=1S/C14H15NO3/c1-10-12(16)15(9-11-5-3-2-4-6-11)14(10)7-8-18-13(14)17/h2-6,10H,7-9H2,1H3/t10-,14+/m0/s1
InChIKeyBJSMFMJXITVAJZ-IINYFYTJSA-N
XLogP1.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-3-methyl-7-oxa-1-azaspiro[3.4]octane-2,8-dione?
The IUPAC name of (3R,4R)-1-benzyl-3-methyl-7-oxa-1-azaspiro[3.4]octane-2,8-dione (CID 132572078) is (3R,4R)-1-benzyl-3-methyl-7-oxa-1-azaspiro[3.4]octane-2,8-dione.
What is the SMILES notation for (3R,4R)-1-benzyl-3-methyl-7-oxa-1-azaspiro[3.4]octane-2,8-dione?
The canonical SMILES for (3R,4R)-1-benzyl-3-methyl-7-oxa-1-azaspiro[3.4]octane-2,8-dione is C[C@H]1C(=O)N(Cc2ccccc2)[C@]12CCOC2=O.
What is the InChIKey of (3R,4R)-1-benzyl-3-methyl-7-oxa-1-azaspiro[3.4]octane-2,8-dione?
The InChIKey is BJSMFMJXITVAJZ-IINYFYTJSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10-12(16)15(9-11-5-3-2-4-6-11)14(10)7-8-18-13(14)17/h2-6,10H,7-9H2,1H3/t10-,14+/m0/s1.
What are the key properties of (3R,4R)-1-benzyl-3-methyl-7-oxa-1-azaspiro[3.4]octane-2,8-dione?
(3R,4R)-1-benzyl-3-methyl-7-oxa-1-azaspiro[3.4]octane-2,8-dione has a molecular weight of 245.28 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-3-methyl-7-oxa-1-azaspiro[3.4]octane-2,8-dione is sourced from PubChem (CID 132572078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).