methyl 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propanoate

C12H21NO4 — CID 106941120

IUPACmethyl 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propanoate
SMILESCOC(=O)C(C)OC1COC2(CCNCC2)C1
InChIInChI=1S/C12H21NO4/c1-9(11(14)15-2)17-10-7-12(16-8-10)3-5-13-6-4-12/h9-10,13H,3-8H2,1-2H3
InChIKeyGPWORDUOCQCYGW-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.48
Rot. Bonds3

About methyl 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propanoate

methyl 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propanoate (PubChem CID 106941120) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propanoate.

Molecular Properties

Compound Namemethyl 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propanoate
PubChem CID106941120
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propanoate
SMILESCOC(=O)C(C)OC1COC2(CCNCC2)C1
InChIInChI=1S/C12H21NO4/c1-9(11(14)15-2)17-10-7-12(16-8-10)3-5-13-6-4-12/h9-10,13H,3-8H2,1-2H3
InChIKeyGPWORDUOCQCYGW-UHFFFAOYSA-N
XLogP0.48
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-N-propan-2-ylpropanamide
CID 102930305
N-ethyl-2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propanamide
CID 102930345
N-butyl-2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propanamide
CID 102930304
2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pentanoic acid
CID 106941098
1-oxa-8-azaspiro[4.5]decan-3-yl N,N-dimethylcarbamate
CID 102930688
1-oxa-8-azaspiro[4.5]decan-3-yl N-ethylcarbamate
CID 102930703
3-(2-methylsulfonylethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 102930216
N-tert-butyl-2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)acetamide
CID 102930376
1-oxa-8-azaspiro[4.5]decan-3-yl N-cyclobutylcarbamate
CID 102930707
N,N-dimethyl-2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)acetamide
CID 102930339
methyl (2R)-2-(oxolan-3-yloxy)propanoate
CID 103338002
methyl (2S)-2-cyclobutyloxypropanoate
CID 103337973

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propanoate?
The IUPAC name of methyl 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propanoate (CID 106941120) is methyl 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propanoate.
What is the SMILES notation for methyl 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propanoate?
The canonical SMILES for methyl 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propanoate is COC(=O)C(C)OC1COC2(CCNCC2)C1.
What is the InChIKey of methyl 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propanoate?
The InChIKey is GPWORDUOCQCYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-9(11(14)15-2)17-10-7-12(16-8-10)3-5-13-6-4-12/h9-10,13H,3-8H2,1-2H3.
What are the key properties of methyl 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propanoate?
methyl 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propanoate has a molecular weight of 243.30 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propanoate is sourced from PubChem (CID 106941120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).