methyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate

C10H17NO3 — CID 104706034

IUPACmethyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate
SMILESCOC(=O)C1CNCC12CCOCC2
InChIInChI=1S/C10H17NO3/c1-13-9(12)8-6-11-7-10(8)2-4-14-5-3-10/h8,11H,2-7H2,1H3
InChIKeyIMHCCOTUHJJCIV-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.18
Rot. Bonds1

About methyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate

methyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate (PubChem CID 104706034) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namemethyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate
PubChem CID104706034
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate
SMILESCOC(=O)C1CNCC12CCOCC2
InChIInChI=1S/C10H17NO3/c1-13-9(12)8-6-11-7-10(8)2-4-14-5-3-10/h8,11H,2-7H2,1H3
InChIKeyIMHCCOTUHJJCIV-UHFFFAOYSA-N
XLogP0.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate 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

methyl 6-azaspiro[3.4]octane-8-carboxylate
CID 86811534
methyl (4S)-2-azaspiro[4.4]nonane-4-carboxylate
CID 129381539
methyl 2-methoxy-6-azaspiro[3.4]octane-8-carboxylate
CID 106824169
methyl 3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxylate
CID 130997715
methyl 7-oxa-2-azaspiro[3.5]nonane-3-carboxylate;hydrochloride
CID 126791141
methyl 7-oxa-1-azaspiro[3.5]nonane-3-carboxylate;hydrochloride
CID 155970957
(5R,9R)-2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid
CID 95255158
methyl (3R,4R)-4-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 96885862
N-methoxy-6-oxaspiro[2.5]octane-2-carboxamide
CID 130684582
methyl 4-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate
CID 114486515
methyl spiro[2.6]nonane-2-carboxylate
CID 144510342
methyl N-(6-oxaspiro[2.5]octan-2-yl)carbamate
CID 130878031

Frequently Asked Questions

What is the IUPAC name of methyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate?
The IUPAC name of methyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate (CID 104706034) is methyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for methyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for methyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate is COC(=O)C1CNCC12CCOCC2.
What is the InChIKey of methyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate?
The InChIKey is IMHCCOTUHJJCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-13-9(12)8-6-11-7-10(8)2-4-14-5-3-10/h8,11H,2-7H2,1H3.
What are the key properties of methyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate?
methyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 104706034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).