tert-butyl 2,4-dimethyl-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate

C14H25NO3 — CID 141133240

IUPACtert-butyl 2,4-dimethyl-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
SMILESCC1CC(C)C2(CCN(C(=O)OC(C)(C)C)C2)O1
InChIInChI=1S/C14H25NO3/c1-10-8-11(2)17-14(10)6-7-15(9-14)12(16)18-13(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyPOROKPACMOSTJS-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.81
Rot. Bonds

About tert-butyl 2,4-dimethyl-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate

tert-butyl 2,4-dimethyl-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate (PubChem CID 141133240) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl 2,4-dimethyl-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,4-dimethyl-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
PubChem CID141133240
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl 2,4-dimethyl-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
SMILESCC1CC(C)C2(CCN(C(=O)OC(C)(C)C)C2)O1
InChIInChI=1S/C14H25NO3/c1-10-8-11(2)17-14(10)6-7-15(9-14)12(16)18-13(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyPOROKPACMOSTJS-UHFFFAOYSA-N
XLogP2.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethyl-8-(tetrahydrofuran-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70758915
tert-butyl (1R,3S,5S)-3-methyl-8-oxa-6-azabicyclo[3.2.1]octane-6-carboxylate
CID 90680657
tert-butyl 2-(iodomethyl)-hexahydro-2H-furo[2,3-c]pyrrole-5-carboxylate
CID 130156654
Tert-butyl 3,3-difluoro-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 177906371
1-Oxa-7-azaspiro[4.4]nonane-7-carboxylic acid, 4,4-dimethyl-, 1,1-dimethylethyl ester
CID 66661997
1-Oxa-7-azaspiro[4.4]nonane-7-carboxylic acid, 3-iodo-4,4-dimethyl-, 1,1-dimethylethyl ester
CID 66662552
Tert-butyl 2,3,3-trimethyl-1-oxa-6-azaspiro[3.4]octane-6-carboxylate
CID 66662740
Tert-butyl 2,3-dimethyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole-6-carboxylate
CID 91215320
Tert-butyl 3-methyl-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 117836969
Tert-butyl 2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carboxylate
CID 123618244
Tert-butyl 1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 129317736
Tert-butyl 2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate
CID 130790327

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,4-dimethyl-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate?
The IUPAC name of tert-butyl 2,4-dimethyl-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate (CID 141133240) is tert-butyl 2,4-dimethyl-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 2,4-dimethyl-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 2,4-dimethyl-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate is CC1CC(C)C2(CCN(C(=O)OC(C)(C)C)C2)O1.
What is the InChIKey of tert-butyl 2,4-dimethyl-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate?
The InChIKey is POROKPACMOSTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10-8-11(2)17-14(10)6-7-15(9-14)12(16)18-13(3,4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of tert-butyl 2,4-dimethyl-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate?
tert-butyl 2,4-dimethyl-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,4-dimethyl-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate is sourced from PubChem (CID 141133240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).