methyl 4-azaspiro[2.4]heptane-6-carboxylate

C8H13NO2 — CID 105430307

IUPACmethyl 4-azaspiro[2.4]heptane-6-carboxylate
SMILESCOC(=O)C1CNC2(CC2)C1
InChIInChI=1S/C8H13NO2/c1-11-7(10)6-4-8(2-3-8)9-5-6/h6,9H,2-5H2,1H3
InChIKeyGXDKWZSNNMJKBS-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.30
Rot. Bonds1

About methyl 4-azaspiro[2.4]heptane-6-carboxylate

methyl 4-azaspiro[2.4]heptane-6-carboxylate (PubChem CID 105430307) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl 4-azaspiro[2.4]heptane-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-azaspiro[2.4]heptane-6-carboxylate
PubChem CID105430307
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl 4-azaspiro[2.4]heptane-6-carboxylate
SMILESCOC(=O)C1CNC2(CC2)C1
InChIInChI=1S/C8H13NO2/c1-11-7(10)6-4-8(2-3-8)9-5-6/h6,9H,2-5H2,1H3
InChIKeyGXDKWZSNNMJKBS-UHFFFAOYSA-N
XLogP0.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl (3R,5R)-piperidine-3,5-dicarboxylate
CID 69137212
methyl 1-azaspiro[3.4]octane-2-carboxylate
CID 167715027
1-azaspiro[4.4]nonan-3-yl-(4-methylpiperazin-1-yl)methanone
CID 166117731
methyl 2-aminospiro[2.3]hexane-5-carboxylate
CID 84716589
methyl pyrrolidine-3-carboxylate
CID 4114360
methyl spiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carboxylate
CID 105439481
methyl 5-(fluoromethyl)pyrrolidine-3-carboxylate
CID 67033610
methyl (2S)-aziridine-2-carboxylate
CID 10329257
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 3367709
methyl 2-oxaspiro[3.3]heptane-6-carboxylate
CID 135392775
methyl (8R)-1,4-dithiaspiro[4.4]nonane-8-carboxylate
CID 99996163

Frequently Asked Questions

What is the IUPAC name of methyl 4-azaspiro[2.4]heptane-6-carboxylate?
The IUPAC name of methyl 4-azaspiro[2.4]heptane-6-carboxylate (CID 105430307) is methyl 4-azaspiro[2.4]heptane-6-carboxylate.
What is the SMILES notation for methyl 4-azaspiro[2.4]heptane-6-carboxylate?
The canonical SMILES for methyl 4-azaspiro[2.4]heptane-6-carboxylate is COC(=O)C1CNC2(CC2)C1.
What is the InChIKey of methyl 4-azaspiro[2.4]heptane-6-carboxylate?
The InChIKey is GXDKWZSNNMJKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-11-7(10)6-4-8(2-3-8)9-5-6/h6,9H,2-5H2,1H3.
What are the key properties of methyl 4-azaspiro[2.4]heptane-6-carboxylate?
methyl 4-azaspiro[2.4]heptane-6-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-azaspiro[2.4]heptane-6-carboxylate is sourced from PubChem (CID 105430307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).