methyl (1'R,2R,3R,5'S)-spiro[azetidine-3,2'-bicyclo[3.1.0]hexane]-2-carboxylate

C10H15NO2 — CID 125425350

IUPACmethyl (1'R,2R,3R,5'S)-spiro[azetidine-3,2'-bicyclo[3.1.0]hexane]-2-carboxylate
SMILESCOC(=O)[C@@H]1NC[C@]12CC[C@H]1C[C@H]12
InChIInChI=1S/C10H15NO2/c1-13-9(12)8-10(5-11-8)3-2-6-4-7(6)10/h6-8,11H,2-5H2,1H3/t6-,7+,8-,10-/m0/s1
InChIKeyBVNXDNRLYSEXAD-ODHVRURNSA-N
MW181.23 g/mol
LogP0.55
Rot. Bonds1

About methyl (1'R,2R,3R,5'S)-spiro[azetidine-3,2'-bicyclo[3.1.0]hexane]-2-carboxylate

methyl (1'R,2R,3R,5'S)-spiro[azetidine-3,2'-bicyclo[3.1.0]hexane]-2-carboxylate (PubChem CID 125425350) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is methyl (1'R,2R,3R,5'S)-spiro[azetidine-3,2'-bicyclo[3.1.0]hexane]-2-carboxylate.

Molecular Properties

Compound Namemethyl (1'R,2R,3R,5'S)-spiro[azetidine-3,2'-bicyclo[3.1.0]hexane]-2-carboxylate
PubChem CID125425350
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Namemethyl (1'R,2R,3R,5'S)-spiro[azetidine-3,2'-bicyclo[3.1.0]hexane]-2-carboxylate
SMILESCOC(=O)[C@@H]1NC[C@]12CC[C@H]1C[C@H]12
InChIInChI=1S/C10H15NO2/c1-13-9(12)8-10(5-11-8)3-2-6-4-7(6)10/h6-8,11H,2-5H2,1H3/t6-,7+,8-,10-/m0/s1
InChIKeyBVNXDNRLYSEXAD-ODHVRURNSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (1'R,2R,3R,5'S)-spiro[azetidine-3,2'-bicyclo[3.1.0]hexane]-2-carboxylate with MolForge

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Related Compounds

methyl (3R,4R,5R)-5-methyl-6-oxa-2-azaspiro[3.4]octane-3-carboxylate
CID 125426381
methyl (3S)-7-methyl-2-azaspiro[3.5]nonane-3-carboxylate
CID 125425441
methyl (3R)-7-methoxy-2-azaspiro[3.5]nonane-3-carboxylate
CID 125426547
methyl 7-oxa-2-azaspiro[3.5]nonane-3-carboxylate;hydrochloride
CID 126791141
methyl (3R,6R)-2,2-dichloro-5-azaspiro[2.3]hexane-6-carboxylate
CID 125425914
methyl 3,3-dimethylpyrrolidine-2-carboxylate
CID 75088961
methyl (3R,4S)-6,6-difluoro-2-azaspiro[3.5]nonane-3-carboxylate
CID 125425406
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263
methyl (1S,3S,6S,8R)-3-chloro-1-methyl-4-oxotricyclo[4.4.0.02,8]decane-5-carboxylate
CID 102585617
methyl 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-5-carboxylate;hydrochloride
CID 155971059
methyl 5,5-dimethylpyrrolidine-2-carboxylate
CID 75088958
methyl (3R,4R,7S)-7-methyl-6-oxa-2-azaspiro[3.4]octane-3-carboxylate
CID 125426250

Frequently Asked Questions

What is the IUPAC name of methyl (1'R,2R,3R,5'S)-spiro[azetidine-3,2'-bicyclo[3.1.0]hexane]-2-carboxylate?
The IUPAC name of methyl (1'R,2R,3R,5'S)-spiro[azetidine-3,2'-bicyclo[3.1.0]hexane]-2-carboxylate (CID 125425350) is methyl (1'R,2R,3R,5'S)-spiro[azetidine-3,2'-bicyclo[3.1.0]hexane]-2-carboxylate.
What is the SMILES notation for methyl (1'R,2R,3R,5'S)-spiro[azetidine-3,2'-bicyclo[3.1.0]hexane]-2-carboxylate?
The canonical SMILES for methyl (1'R,2R,3R,5'S)-spiro[azetidine-3,2'-bicyclo[3.1.0]hexane]-2-carboxylate is COC(=O)[C@@H]1NC[C@]12CC[C@H]1C[C@H]12.
What is the InChIKey of methyl (1'R,2R,3R,5'S)-spiro[azetidine-3,2'-bicyclo[3.1.0]hexane]-2-carboxylate?
The InChIKey is BVNXDNRLYSEXAD-ODHVRURNSA-N. The full InChI is InChI=1S/C10H15NO2/c1-13-9(12)8-10(5-11-8)3-2-6-4-7(6)10/h6-8,11H,2-5H2,1H3/t6-,7+,8-,10-/m0/s1.
What are the key properties of methyl (1'R,2R,3R,5'S)-spiro[azetidine-3,2'-bicyclo[3.1.0]hexane]-2-carboxylate?
methyl (1'R,2R,3R,5'S)-spiro[azetidine-3,2'-bicyclo[3.1.0]hexane]-2-carboxylate has a molecular weight of 181.23 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1'R,2R,3R,5'S)-spiro[azetidine-3,2'-bicyclo[3.1.0]hexane]-2-carboxylate is sourced from PubChem (CID 125425350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).