methyl 6-(aminomethyl)-2-oxaspiro[3.3]heptane-6-carboxylate

C9H15NO3 — CID 167724073

IUPACmethyl 6-(aminomethyl)-2-oxaspiro[3.3]heptane-6-carboxylate
SMILESCOC(=O)C1(CN)CC2(COC2)C1
InChIInChI=1S/C9H15NO3/c1-12-7(11)9(4-10)2-8(3-9)5-13-6-8/h2-6,10H2,1H3
InChIKeyPPTWPCOLEAXQSM-UHFFFAOYSA-N
MW185.22 g/mol
LogP-0.09
Rot. Bonds2

About methyl 6-(aminomethyl)-2-oxaspiro[3.3]heptane-6-carboxylate

methyl 6-(aminomethyl)-2-oxaspiro[3.3]heptane-6-carboxylate (PubChem CID 167724073) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 6-(aminomethyl)-2-oxaspiro[3.3]heptane-6-carboxylate.

Molecular Properties

Compound Namemethyl 6-(aminomethyl)-2-oxaspiro[3.3]heptane-6-carboxylate
PubChem CID167724073
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 6-(aminomethyl)-2-oxaspiro[3.3]heptane-6-carboxylate
SMILESCOC(=O)C1(CN)CC2(COC2)C1
InChIInChI=1S/C9H15NO3/c1-12-7(11)9(4-10)2-8(3-9)5-13-6-8/h2-6,10H2,1H3
InChIKeyPPTWPCOLEAXQSM-UHFFFAOYSA-N
XLogP-0.09
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride
CID 43811188
methyl 3-(sulfinamoylmethyl)oxetane-3-carboxylate
CID 165452822
1-[3-(aminomethyl)oxetan-3-yl]ethanone
CID 116922670
methyl 5-(hydroxymethyl)spiro[2.3]hexane-5-carboxylate
CID 115013730
(3-methoxycarbonyloxetan-3-yl)methanesulfinic acid
CID 165455383
ethyl 6-(aminomethyl)-2,2-difluorospiro[3.3]heptane-6-carboxylate
CID 138991030
methane;methyl 3-methyloxetane-3-carboxylate
CID 167597787
dimethyl 3-(2-methylpropyl)-5-propan-2-yloxane-3,5-dicarboxylate
CID 166663680
methyl 3-[(4,4-difluoropiperidin-1-yl)methyl]oxetane-3-carboxylate
CID 116991268
methyl 3-[(2,4,6-trimethylphenyl)methyl]oxetane-3-carboxylate
CID 116930223
methyl 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carboxylate
CID 115248651
methyl 1-(hydroxymethyl)-3,3-dimethylcyclobutane-1-carboxylate
CID 115013996

Frequently Asked Questions

What is the IUPAC name of methyl 6-(aminomethyl)-2-oxaspiro[3.3]heptane-6-carboxylate?
The IUPAC name of methyl 6-(aminomethyl)-2-oxaspiro[3.3]heptane-6-carboxylate (CID 167724073) is methyl 6-(aminomethyl)-2-oxaspiro[3.3]heptane-6-carboxylate.
What is the SMILES notation for methyl 6-(aminomethyl)-2-oxaspiro[3.3]heptane-6-carboxylate?
The canonical SMILES for methyl 6-(aminomethyl)-2-oxaspiro[3.3]heptane-6-carboxylate is COC(=O)C1(CN)CC2(COC2)C1.
What is the InChIKey of methyl 6-(aminomethyl)-2-oxaspiro[3.3]heptane-6-carboxylate?
The InChIKey is PPTWPCOLEAXQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-12-7(11)9(4-10)2-8(3-9)5-13-6-8/h2-6,10H2,1H3.
What are the key properties of methyl 6-(aminomethyl)-2-oxaspiro[3.3]heptane-6-carboxylate?
methyl 6-(aminomethyl)-2-oxaspiro[3.3]heptane-6-carboxylate has a molecular weight of 185.22 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(aminomethyl)-2-oxaspiro[3.3]heptane-6-carboxylate is sourced from PubChem (CID 167724073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).