methyl (3R,4R,5R)-5-methyl-6-oxa-2-azaspiro[3.4]octane-3-carboxylate

C9H15NO3 — CID 125426381

IUPACmethyl (3R,4R,5R)-5-methyl-6-oxa-2-azaspiro[3.4]octane-3-carboxylate
SMILESCOC(=O)[C@@H]1NC[C@]12CCO[C@@H]2C
InChIInChI=1S/C9H15NO3/c1-6-9(3-4-13-6)5-10-7(9)8(11)12-2/h6-7,10H,3-5H2,1-2H3/t6-,7+,9+/m1/s1
InChIKeyVWXFCWIWXLFASR-FJXKBIBVSA-N
MW185.22 g/mol
LogP-0.07
Rot. Bonds1

About methyl (3R,4R,5R)-5-methyl-6-oxa-2-azaspiro[3.4]octane-3-carboxylate

methyl (3R,4R,5R)-5-methyl-6-oxa-2-azaspiro[3.4]octane-3-carboxylate (PubChem CID 125426381) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl (3R,4R,5R)-5-methyl-6-oxa-2-azaspiro[3.4]octane-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4R,5R)-5-methyl-6-oxa-2-azaspiro[3.4]octane-3-carboxylate
PubChem CID125426381
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl (3R,4R,5R)-5-methyl-6-oxa-2-azaspiro[3.4]octane-3-carboxylate
SMILESCOC(=O)[C@@H]1NC[C@]12CCO[C@@H]2C
InChIInChI=1S/C9H15NO3/c1-6-9(3-4-13-6)5-10-7(9)8(11)12-2/h6-7,10H,3-5H2,1-2H3/t6-,7+,9+/m1/s1
InChIKeyVWXFCWIWXLFASR-FJXKBIBVSA-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 (1'R,2R,3R,5'S)-spiro[azetidine-3,2'-bicyclo[3.1.0]hexane]-2-carboxylate
CID 125425350
methyl 7-oxa-2-azaspiro[3.5]nonane-3-carboxylate;hydrochloride
CID 126791141
methyl (3S)-7-methyl-2-azaspiro[3.5]nonane-3-carboxylate
CID 125425441
methyl (3R,4R,7S)-7-methyl-6-oxa-2-azaspiro[3.4]octane-3-carboxylate
CID 125426250
methyl 2,3-dimethyloxolane-3-carboxylate
CID 130674269
methyl (3R)-7-methoxy-2-azaspiro[3.5]nonane-3-carboxylate
CID 125426547
methyl (3R,6R)-2,2-dichloro-5-azaspiro[2.3]hexane-6-carboxylate
CID 125425914
methyl 2-[2-methyl-3-(methylamino)oxolan-3-yl]acetate
CID 82717713
1,9-dimethyl-2-oxa-7-azaspiro[4.4]nonan-8-one
CID 130855792
methyl 3,3-dimethylpyrrolidine-2-carboxylate
CID 75088961
methyl (8R)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
CID 122607276
methyl 5-azaspiro[2.4]heptane-6-carboxylate
CID 77471720

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4R,5R)-5-methyl-6-oxa-2-azaspiro[3.4]octane-3-carboxylate?
The IUPAC name of methyl (3R,4R,5R)-5-methyl-6-oxa-2-azaspiro[3.4]octane-3-carboxylate (CID 125426381) is methyl (3R,4R,5R)-5-methyl-6-oxa-2-azaspiro[3.4]octane-3-carboxylate.
What is the SMILES notation for methyl (3R,4R,5R)-5-methyl-6-oxa-2-azaspiro[3.4]octane-3-carboxylate?
The canonical SMILES for methyl (3R,4R,5R)-5-methyl-6-oxa-2-azaspiro[3.4]octane-3-carboxylate is COC(=O)[C@@H]1NC[C@]12CCO[C@@H]2C.
What is the InChIKey of methyl (3R,4R,5R)-5-methyl-6-oxa-2-azaspiro[3.4]octane-3-carboxylate?
The InChIKey is VWXFCWIWXLFASR-FJXKBIBVSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6-9(3-4-13-6)5-10-7(9)8(11)12-2/h6-7,10H,3-5H2,1-2H3/t6-,7+,9+/m1/s1.
What are the key properties of methyl (3R,4R,5R)-5-methyl-6-oxa-2-azaspiro[3.4]octane-3-carboxylate?
methyl (3R,4R,5R)-5-methyl-6-oxa-2-azaspiro[3.4]octane-3-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 (3R,4R,5R)-5-methyl-6-oxa-2-azaspiro[3.4]octane-3-carboxylate is sourced from PubChem (CID 125426381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).