methyl 2-amino-2-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetate

C11H13NO2 — CID 172781506

IUPACmethyl 2-amino-2-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetate
SMILESCOC(=O)C(N)c1cccc2c1CC2
InChIInChI=1S/C11H13NO2/c1-14-11(13)10(12)9-4-2-3-7-5-6-8(7)9/h2-4,10H,5-6,12H2,1H3
InChIKeyOIADGNJSMHJWNB-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.96
Rot. Bonds2

About methyl 2-amino-2-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetate

methyl 2-amino-2-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetate (PubChem CID 172781506) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl 2-amino-2-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetate
PubChem CID172781506
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl 2-amino-2-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetate
SMILESCOC(=O)C(N)c1cccc2c1CC2
InChIInChI=1S/C11H13NO2/c1-14-11(13)10(12)9-4-2-3-7-5-6-8(7)9/h2-4,10H,5-6,12H2,1H3
InChIKeyOIADGNJSMHJWNB-UHFFFAOYSA-N
XLogP0.96
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetate?
The IUPAC name of methyl 2-amino-2-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetate (CID 172781506) is methyl 2-amino-2-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetate.
What is the SMILES notation for methyl 2-amino-2-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetate?
The canonical SMILES for methyl 2-amino-2-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetate is COC(=O)C(N)c1cccc2c1CC2.
What is the InChIKey of methyl 2-amino-2-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetate?
The InChIKey is OIADGNJSMHJWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-11(13)10(12)9-4-2-3-7-5-6-8(7)9/h2-4,10H,5-6,12H2,1H3.
What are the key properties of methyl 2-amino-2-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetate?
methyl 2-amino-2-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetate has a molecular weight of 191.23 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetate is sourced from PubChem (CID 172781506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).