ethyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoate

C14H25NO3 — CID 102897027

IUPACethyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoate
SMILESCCOC(=O)C(C)NCC1CCC2(CCCC2)O1
InChIInChI=1S/C14H25NO3/c1-3-17-13(16)11(2)15-10-12-6-9-14(18-12)7-4-5-8-14/h11-12,15H,3-10H2,1-2H3
InChIKeyAXGLKQUBMVOIJA-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.02
Rot. Bonds5

About ethyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoate

ethyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoate (PubChem CID 102897027) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoate
PubChem CID102897027
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nameethyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoate
SMILESCCOC(=O)C(C)NCC1CCC2(CCCC2)O1
InChIInChI=1S/C14H25NO3/c1-3-17-13(16)11(2)15-10-12-6-9-14(18-12)7-4-5-8-14/h11-12,15H,3-10H2,1-2H3
InChIKeyAXGLKQUBMVOIJA-UHFFFAOYSA-N
XLogP2.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-Trifluoro-2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoic acid
CID 102899255
Methyl 2-(oxolan-2-ylmethylamino)-2-propylpentanoate
CID 54889792
Methyl 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexanoate
CID 54889793
Methyl 2-cyclohexyl-2-(oxolan-2-ylmethylamino)acetate
CID 54889920
Methyl 2-methyl-2-(oxolan-2-ylmethylamino)octanoate
CID 54890147
Ethyl 1-(oxolan-2-ylmethylamino)cyclopentane-1-carboxylate
CID 54890328
Ethyl 2-(oxolan-2-ylmethylamino)-2-propylpentanoate
CID 54890377
Ethyl 2-cyclohexyl-2-(oxolan-2-ylmethylamino)acetate
CID 54890470
Methyl 1-(oxolan-2-ylmethylamino)cyclopentane-1-carboxylate
CID 60994754
(2-Ethylcyclohexyl) 2-(cyclopentylamino)acetate
CID 61277044
Octan-2-yl 2-(cyclopentylamino)acetate
CID 61303088
Methyl 3-methyl-2-(oxolan-2-ylmethylamino)hexanoate
CID 61966798

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoate?
The IUPAC name of ethyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoate (CID 102897027) is ethyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoate.
What is the SMILES notation for ethyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoate?
The canonical SMILES for ethyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoate is CCOC(=O)C(C)NCC1CCC2(CCCC2)O1.
What is the InChIKey of ethyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoate?
The InChIKey is AXGLKQUBMVOIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-17-13(16)11(2)15-10-12-6-9-14(18-12)7-4-5-8-14/h11-12,15H,3-10H2,1-2H3.
What are the key properties of ethyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoate?
ethyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoate has a molecular weight of 255.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoate is sourced from PubChem (CID 102897027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).