methyl 2-amino-5-oxaspiro[2.5]octane-2-carboxylate

C9H15NO3 — CID 84660136

IUPACmethyl 2-amino-5-oxaspiro[2.5]octane-2-carboxylate
SMILESCOC(=O)C1(N)CC12CCCOC2
InChIInChI=1S/C9H15NO3/c1-12-7(11)9(10)5-8(9)3-2-4-13-6-8/h2-6,10H2,1H3
InChIKeyYJJAOAHABOZKOS-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.06
Rot. Bonds1

About methyl 2-amino-5-oxaspiro[2.5]octane-2-carboxylate

methyl 2-amino-5-oxaspiro[2.5]octane-2-carboxylate (PubChem CID 84660136) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 2-amino-5-oxaspiro[2.5]octane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-oxaspiro[2.5]octane-2-carboxylate
PubChem CID84660136
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 2-amino-5-oxaspiro[2.5]octane-2-carboxylate
SMILESCOC(=O)C1(N)CC12CCCOC2
InChIInChI=1S/C9H15NO3/c1-12-7(11)9(10)5-8(9)3-2-4-13-6-8/h2-6,10H2,1H3
InChIKeyYJJAOAHABOZKOS-UHFFFAOYSA-N
XLogP0.06
TPSA61.55 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 ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3R)-2-amino-5-oxaspiro[2.5]octane-2-carboxylate
CID 129407677
(2R,3S)-2-amino-5-oxaspiro[2.5]octane-2-carboxylic acid
CID 129407585
methyl 2-aminospiro[2.4]heptane-2-carboxylate;hydrochloride
CID 67031572
methyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride
CID 67031096
methyl 10-aminospiro[4.5]decane-10-carboxylate
CID 83909665
methyl 2-amino-6-thiaspiro[2.5]octane-2-carboxylate
CID 84670226
methyl 2-(3-aminooxan-3-yl)acetate
CID 75356322
ethyl 3-aminooxane-3-carboxylate;hydrochloride
CID 138991136
(2-amino-5-oxaspiro[2.5]octan-2-yl)methanol
CID 84650597
methyl (3S)-3-methoxyoxolane-3-carboxylate
CID 125113070
methyl 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate
CID 115016491
6-O-tert-butyl 2-O-methyl 2-amino-6-azaspiro[2.5]octane-2,6-dicarboxylate
CID 84715284

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-oxaspiro[2.5]octane-2-carboxylate?
The IUPAC name of methyl 2-amino-5-oxaspiro[2.5]octane-2-carboxylate (CID 84660136) is methyl 2-amino-5-oxaspiro[2.5]octane-2-carboxylate.
What is the SMILES notation for methyl 2-amino-5-oxaspiro[2.5]octane-2-carboxylate?
The canonical SMILES for methyl 2-amino-5-oxaspiro[2.5]octane-2-carboxylate is COC(=O)C1(N)CC12CCCOC2.
What is the InChIKey of methyl 2-amino-5-oxaspiro[2.5]octane-2-carboxylate?
The InChIKey is YJJAOAHABOZKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-12-7(11)9(10)5-8(9)3-2-4-13-6-8/h2-6,10H2,1H3.
What are the key properties of methyl 2-amino-5-oxaspiro[2.5]octane-2-carboxylate?
methyl 2-amino-5-oxaspiro[2.5]octane-2-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-oxaspiro[2.5]octane-2-carboxylate is sourced from PubChem (CID 84660136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).