methyl 7-methyl-2-oxa-5-azaspiro[3.4]octane-7-carboxylate

C9H15NO3 — CID 162342184

IUPACmethyl 7-methyl-2-oxa-5-azaspiro[3.4]octane-7-carboxylate
SMILESCOC(=O)C1(C)CNC2(COC2)C1
InChIInChI=1S/C9H15NO3/c1-8(7(11)12-2)3-9(10-4-8)5-13-6-9/h10H,3-6H2,1-2H3
InChIKeyQNYPRTPVBKXTMC-UHFFFAOYSA-N
MW185.22 g/mol
LogP-0.07
Rot. Bonds1

About methyl 7-methyl-2-oxa-5-azaspiro[3.4]octane-7-carboxylate

methyl 7-methyl-2-oxa-5-azaspiro[3.4]octane-7-carboxylate (PubChem CID 162342184) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 7-methyl-2-oxa-5-azaspiro[3.4]octane-7-carboxylate.

Molecular Properties

Compound Namemethyl 7-methyl-2-oxa-5-azaspiro[3.4]octane-7-carboxylate
PubChem CID162342184
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 7-methyl-2-oxa-5-azaspiro[3.4]octane-7-carboxylate
SMILESCOC(=O)C1(C)CNC2(COC2)C1
InChIInChI=1S/C9H15NO3/c1-8(7(11)12-2)3-9(10-4-8)5-13-6-9/h10H,3-6H2,1-2H3
InChIKeyQNYPRTPVBKXTMC-UHFFFAOYSA-N
XLogP-0.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 7-methyl-5-azaspiro[3.4]octane-7-carboxylate;hydrochloride
CID 162342187
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methyl 4-methyl-1,3-oxazolidine-4-carboxylate
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methyl 3-amino-1,3-dimethylcyclobutane-1-carboxylate
CID 146204019
methyl (2R)-2,4,4-trimethylpyrrolidine-2-carboxylate
CID 124654196
methyl (3S)-3-methylpyrrolidine-3-carboxylate
CID 95020716
methyl (2S)-2-methyloxirane-2-carboxylate
CID 5324667
methyl 4-hydroxy-1,3-oxazolidine-4-carboxylate
CID 175491965
methyl (3S)-3-methylpiperidine-3-carboxylate
CID 52644166
methyl 3,8,8,10,10-pentamethyl-9-propan-2-yloxy-1,5-dioxa-9-azaspiro[5.5]undecane-3-carboxylate
CID 142801570
(3-methoxycarbonyloxetan-3-yl)methanesulfinic acid
CID 165455383

Frequently Asked Questions

What is the IUPAC name of methyl 7-methyl-2-oxa-5-azaspiro[3.4]octane-7-carboxylate?
The IUPAC name of methyl 7-methyl-2-oxa-5-azaspiro[3.4]octane-7-carboxylate (CID 162342184) is methyl 7-methyl-2-oxa-5-azaspiro[3.4]octane-7-carboxylate.
What is the SMILES notation for methyl 7-methyl-2-oxa-5-azaspiro[3.4]octane-7-carboxylate?
The canonical SMILES for methyl 7-methyl-2-oxa-5-azaspiro[3.4]octane-7-carboxylate is COC(=O)C1(C)CNC2(COC2)C1.
What is the InChIKey of methyl 7-methyl-2-oxa-5-azaspiro[3.4]octane-7-carboxylate?
The InChIKey is QNYPRTPVBKXTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-8(7(11)12-2)3-9(10-4-8)5-13-6-9/h10H,3-6H2,1-2H3.
What are the key properties of methyl 7-methyl-2-oxa-5-azaspiro[3.4]octane-7-carboxylate?
methyl 7-methyl-2-oxa-5-azaspiro[3.4]octane-7-carboxylate has a molecular weight of 185.22 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methyl-2-oxa-5-azaspiro[3.4]octane-7-carboxylate is sourced from PubChem (CID 162342184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).