tert-butyl (3R)-3-formyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylate

C14H23NO4 — CID 11108395

IUPACtert-butyl (3R)-3-formyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](C=O)COC12CCCCC2
InChIInChI=1S/C14H23NO4/c1-13(2,3)19-12(17)15-11(9-16)10-18-14(15)7-5-4-6-8-14/h9,11H,4-8,10H2,1-3H3/t11-/m0/s1
InChIKeyZUQSKYAYHQZQFX-NSHDSACASA-N
MW269.34 g/mol
LogP2.48
Rot. Bonds1

About tert-butyl (3R)-3-formyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylate

tert-butyl (3R)-3-formyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylate (PubChem CID 11108395) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl (3R)-3-formyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-formyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
PubChem CID11108395
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Nametert-butyl (3R)-3-formyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](C=O)COC12CCCCC2
InChIInChI=1S/C14H23NO4/c1-13(2,3)19-12(17)15-11(9-16)10-18-14(15)7-5-4-6-8-14/h9,11H,4-8,10H2,1-3H3/t11-/m0/s1
InChIKeyZUQSKYAYHQZQFX-NSHDSACASA-N
XLogP2.48
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-formyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylate?
The IUPAC name of tert-butyl (3R)-3-formyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylate (CID 11108395) is tert-butyl (3R)-3-formyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-formyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-formyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylate is CC(C)(C)OC(=O)N1[C@@H](C=O)COC12CCCCC2.
What is the InChIKey of tert-butyl (3R)-3-formyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylate?
The InChIKey is ZUQSKYAYHQZQFX-NSHDSACASA-N. The full InChI is InChI=1S/C14H23NO4/c1-13(2,3)19-12(17)15-11(9-16)10-18-14(15)7-5-4-6-8-14/h9,11H,4-8,10H2,1-3H3/t11-/m0/s1.
What are the key properties of tert-butyl (3R)-3-formyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylate?
tert-butyl (3R)-3-formyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-formyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 11108395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).