methyl (5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

C11H15N3O3 — CID 175560380

IUPACmethyl (5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCOC(=O)N1CC2C(c3noc(C)c3N)[C@@H]2C1
InChIInChI=1S/C11H15N3O3/c1-5-9(12)10(13-17-5)8-6-3-14(4-7(6)8)11(15)16-2/h6-8H,3-4,12H2,1-2H3/t6-,7?,8?/m1/s1
InChIKeyLJOVYTMADNGIDE-JECWYVHBSA-N
MW237.26 g/mol
LogP0.98
Rot. Bonds1

About methyl (5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

methyl (5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 175560380) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl (5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Namemethyl (5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID175560380
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namemethyl (5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCOC(=O)N1CC2C(c3noc(C)c3N)[C@@H]2C1
InChIInChI=1S/C11H15N3O3/c1-5-9(12)10(13-17-5)8-6-3-14(4-7(6)8)11(15)16-2/h6-8H,3-4,12H2,1-2H3/t6-,7?,8?/m1/s1
InChIKeyLJOVYTMADNGIDE-JECWYVHBSA-N
XLogP0.98
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of methyl (5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 175560380) is methyl (5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for methyl (5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for methyl (5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate is COC(=O)N1CC2C(c3noc(C)c3N)[C@@H]2C1.
What is the InChIKey of methyl (5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is LJOVYTMADNGIDE-JECWYVHBSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-5-9(12)10(13-17-5)8-6-3-14(4-7(6)8)11(15)16-2/h6-8H,3-4,12H2,1-2H3/t6-,7?,8?/m1/s1.
What are the key properties of methyl (5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
methyl (5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 237.26 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 175560380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).