(1R,5S)-N-(2-amino-2-oxoethyl)tricyclo[3.3.0.02,4]oct-2(4)-ene-3-carboxamide

C11H14N2O2 — CID 10104431

IUPAC(1R,5S)-N-(2-amino-2-oxoethyl)tricyclo[3.3.0.02,4]oct-2(4)-ene-3-carboxamide
SMILESNC(=O)CNC(=O)C1C2=C1[C@@H]1CCC[C@H]21
InChIInChI=1S/C11H14N2O2/c12-7(14)4-13-11(15)10-8-5-2-1-3-6(5)9(8)10/h5-6,10H,1-4H2,(H2,12,14)(H,13,15)/t5-,6+,10?
InChIKeyWMCGQWIRVPHLEW-XFJMKFPZSA-N
MW206.24 g/mol
LogP-0.06
Rot. Bonds3

About (1R,5S)-N-(2-amino-2-oxoethyl)tricyclo[3.3.0.02,4]oct-2(4)-ene-3-carboxamide

(1R,5S)-N-(2-amino-2-oxoethyl)tricyclo[3.3.0.02,4]oct-2(4)-ene-3-carboxamide (PubChem CID 10104431) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is (1R,5S)-N-(2-amino-2-oxoethyl)tricyclo[3.3.0.02,4]oct-2(4)-ene-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-(2-amino-2-oxoethyl)tricyclo[3.3.0.02,4]oct-2(4)-ene-3-carboxamide
PubChem CID10104431
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name(1R,5S)-N-(2-amino-2-oxoethyl)tricyclo[3.3.0.02,4]oct-2(4)-ene-3-carboxamide
SMILESNC(=O)CNC(=O)C1C2=C1[C@@H]1CCC[C@H]21
InChIInChI=1S/C11H14N2O2/c12-7(14)4-13-11(15)10-8-5-2-1-3-6(5)9(8)10/h5-6,10H,1-4H2,(H2,12,14)(H,13,15)/t5-,6+,10?
InChIKeyWMCGQWIRVPHLEW-XFJMKFPZSA-N
XLogP-0.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,5S)-N-(2-amino-2-oxoethyl)tricyclo[3.3.0.02,4]oct-2(4)-ene-3-carboxamide 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 (1R,5S)-N-(2-amino-2-oxoethyl)tricyclo[3.3.0.02,4]oct-2(4)-ene-3-carboxamide?
The IUPAC name of (1R,5S)-N-(2-amino-2-oxoethyl)tricyclo[3.3.0.02,4]oct-2(4)-ene-3-carboxamide (CID 10104431) is (1R,5S)-N-(2-amino-2-oxoethyl)tricyclo[3.3.0.02,4]oct-2(4)-ene-3-carboxamide.
What is the SMILES notation for (1R,5S)-N-(2-amino-2-oxoethyl)tricyclo[3.3.0.02,4]oct-2(4)-ene-3-carboxamide?
The canonical SMILES for (1R,5S)-N-(2-amino-2-oxoethyl)tricyclo[3.3.0.02,4]oct-2(4)-ene-3-carboxamide is NC(=O)CNC(=O)C1C2=C1[C@@H]1CCC[C@H]21.
What is the InChIKey of (1R,5S)-N-(2-amino-2-oxoethyl)tricyclo[3.3.0.02,4]oct-2(4)-ene-3-carboxamide?
The InChIKey is WMCGQWIRVPHLEW-XFJMKFPZSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-7(14)4-13-11(15)10-8-5-2-1-3-6(5)9(8)10/h5-6,10H,1-4H2,(H2,12,14)(H,13,15)/t5-,6+,10?.
What are the key properties of (1R,5S)-N-(2-amino-2-oxoethyl)tricyclo[3.3.0.02,4]oct-2(4)-ene-3-carboxamide?
(1R,5S)-N-(2-amino-2-oxoethyl)tricyclo[3.3.0.02,4]oct-2(4)-ene-3-carboxamide has a molecular weight of 206.24 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-(2-amino-2-oxoethyl)tricyclo[3.3.0.02,4]oct-2(4)-ene-3-carboxamide is sourced from PubChem (CID 10104431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).