ethyl 2-[(2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptan-2-yl]acetate

C10H15NO3 — CID 11735742

IUPACethyl 2-[(2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptan-2-yl]acetate
SMILESCCOC(=O)C[C@H]1CC[C@@H]2CC(=O)N12
InChIInChI=1S/C10H15NO3/c1-2-14-10(13)6-8-4-3-7-5-9(12)11(7)8/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyYVZPTCRVCHZUFB-HTQZYQBOSA-N
MW197.23 g/mol
LogP0.70
Rot. Bonds3

About ethyl 2-[(2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptan-2-yl]acetate

ethyl 2-[(2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptan-2-yl]acetate (PubChem CID 11735742) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl 2-[(2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptan-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptan-2-yl]acetate
PubChem CID11735742
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl 2-[(2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptan-2-yl]acetate
SMILESCCOC(=O)C[C@H]1CC[C@@H]2CC(=O)N12
InChIInChI=1S/C10H15NO3/c1-2-14-10(13)6-8-4-3-7-5-9(12)11(7)8/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyYVZPTCRVCHZUFB-HTQZYQBOSA-N
XLogP0.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptan-2-yl]acetate?
The IUPAC name of ethyl 2-[(2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptan-2-yl]acetate (CID 11735742) is ethyl 2-[(2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptan-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptan-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptan-2-yl]acetate is CCOC(=O)C[C@H]1CC[C@@H]2CC(=O)N12.
What is the InChIKey of ethyl 2-[(2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptan-2-yl]acetate?
The InChIKey is YVZPTCRVCHZUFB-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-14-10(13)6-8-4-3-7-5-9(12)11(7)8/h7-8H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of ethyl 2-[(2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptan-2-yl]acetate?
ethyl 2-[(2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptan-2-yl]acetate has a molecular weight of 197.23 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptan-2-yl]acetate is sourced from PubChem (CID 11735742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).