methyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetate

C12H21NO3 — CID 102896558

IUPACmethyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetate
SMILESCOC(=O)CNCC1CCC2(CCCC2)O1
InChIInChI=1S/C12H21NO3/c1-15-11(14)9-13-8-10-4-7-12(16-10)5-2-3-6-12/h10,13H,2-9H2,1H3
InChIKeyODVGJRZSOHDXEF-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.24
Rot. Bonds4

About methyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetate

methyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetate (PubChem CID 102896558) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetate
PubChem CID102896558
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetate
SMILESCOC(=O)CNCC1CCC2(CCCC2)O1
InChIInChI=1S/C12H21NO3/c1-15-11(14)9-13-8-10-4-7-12(16-10)5-2-3-6-12/h10,13H,2-9H2,1H3
InChIKeyODVGJRZSOHDXEF-UHFFFAOYSA-N
XLogP1.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.24
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
Ethyl 1-(oxolan-2-ylmethylamino)cyclopentane-1-carboxylate
CID 54890328
Methyl 1-(oxolan-2-ylmethylamino)cyclopentane-1-carboxylate
CID 60994754
Methyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate
CID 62070199
Ethyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate
CID 62070382
Propan-2-yl 2-[(2-methyloxolan-2-yl)methylamino]acetate
CID 80172183
Tert-butyl 2-[(5-methyloxolan-2-yl)methylamino]acetate
CID 82835684
Ethyl 2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate
CID 102848072
Methyl 2-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate
CID 102848086
Methyl 3-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)butanoate
CID 102848173
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102896524

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetate?
The IUPAC name of methyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetate (CID 102896558) is methyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetate.
What is the SMILES notation for methyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetate?
The canonical SMILES for methyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetate is COC(=O)CNCC1CCC2(CCCC2)O1.
What is the InChIKey of methyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetate?
The InChIKey is ODVGJRZSOHDXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-15-11(14)9-13-8-10-4-7-12(16-10)5-2-3-6-12/h10,13H,2-9H2,1H3.
What are the key properties of methyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetate?
methyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetate has a molecular weight of 227.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)acetate is sourced from PubChem (CID 102896558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).