ethyl 2-[(3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]acetate

C11H17NO3 — CID 70382709

IUPACethyl 2-[(3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]acetate
SMILESCCOC(=O)CN1C[C@@H]2CCC[C@@H]2C1=O
InChIInChI=1S/C11H17NO3/c1-2-15-10(13)7-12-6-8-4-3-5-9(8)11(12)14/h8-9H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyNIAOISOHBPVZIC-IUCAKERBSA-N
MW211.26 g/mol
LogP0.81
Rot. Bonds3

About ethyl 2-[(3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]acetate

ethyl 2-[(3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]acetate (PubChem CID 70382709) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 2-[(3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]acetate
PubChem CID70382709
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl 2-[(3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]acetate
SMILESCCOC(=O)CN1C[C@@H]2CCC[C@@H]2C1=O
InChIInChI=1S/C11H17NO3/c1-2-15-10(13)7-12-6-8-4-3-5-9(8)11(12)14/h8-9H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyNIAOISOHBPVZIC-IUCAKERBSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[(3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]acetate?
The IUPAC name of ethyl 2-[(3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]acetate (CID 70382709) is ethyl 2-[(3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]acetate?
The canonical SMILES for ethyl 2-[(3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]acetate is CCOC(=O)CN1C[C@@H]2CCC[C@@H]2C1=O.
What is the InChIKey of ethyl 2-[(3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]acetate?
The InChIKey is NIAOISOHBPVZIC-IUCAKERBSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-15-10(13)7-12-6-8-4-3-5-9(8)11(12)14/h8-9H,2-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of ethyl 2-[(3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]acetate?
ethyl 2-[(3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]acetate has a molecular weight of 211.26 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]acetate is sourced from PubChem (CID 70382709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).