2-[(1R,5R,6R)-6-(aminomethyl)-3-cyclopentyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid

C15H23NO2 — CID 67199496

IUPAC2-[(1R,5R,6R)-6-(aminomethyl)-3-cyclopentyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid
SMILESNC[C@@]1(CC(=O)O)C[C@H]2CC(C3CCCC3)=C[C@@H]21
InChIInChI=1S/C15H23NO2/c16-9-15(8-14(17)18)7-12-5-11(6-13(12)15)10-3-1-2-4-10/h6,10,12-13H,1-5,7-9,16H2,(H,17,18)/t12-,13+,15+/m1/s1
InChIKeyXWYLIWUOWLAFMH-IPYPFGDCSA-N
MW249.35 g/mol
LogP2.56
Rot. Bonds4

About 2-[(1R,5R,6R)-6-(aminomethyl)-3-cyclopentyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid

2-[(1R,5R,6R)-6-(aminomethyl)-3-cyclopentyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid (PubChem CID 67199496) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[(1R,5R,6R)-6-(aminomethyl)-3-cyclopentyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,5R,6R)-6-(aminomethyl)-3-cyclopentyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid
PubChem CID67199496
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[(1R,5R,6R)-6-(aminomethyl)-3-cyclopentyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid
SMILESNC[C@@]1(CC(=O)O)C[C@H]2CC(C3CCCC3)=C[C@@H]21
InChIInChI=1S/C15H23NO2/c16-9-15(8-14(17)18)7-12-5-11(6-13(12)15)10-3-1-2-4-10/h6,10,12-13H,1-5,7-9,16H2,(H,17,18)/t12-,13+,15+/m1/s1
InChIKeyXWYLIWUOWLAFMH-IPYPFGDCSA-N
XLogP2.56
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,5R,6R)-6-(aminomethyl)-3-cyclopentyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid?
The IUPAC name of 2-[(1R,5R,6R)-6-(aminomethyl)-3-cyclopentyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid (CID 67199496) is 2-[(1R,5R,6R)-6-(aminomethyl)-3-cyclopentyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid.
What is the SMILES notation for 2-[(1R,5R,6R)-6-(aminomethyl)-3-cyclopentyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid?
The canonical SMILES for 2-[(1R,5R,6R)-6-(aminomethyl)-3-cyclopentyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid is NC[C@@]1(CC(=O)O)C[C@H]2CC(C3CCCC3)=C[C@@H]21.
What is the InChIKey of 2-[(1R,5R,6R)-6-(aminomethyl)-3-cyclopentyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid?
The InChIKey is XWYLIWUOWLAFMH-IPYPFGDCSA-N. The full InChI is InChI=1S/C15H23NO2/c16-9-15(8-14(17)18)7-12-5-11(6-13(12)15)10-3-1-2-4-10/h6,10,12-13H,1-5,7-9,16H2,(H,17,18)/t12-,13+,15+/m1/s1.
What are the key properties of 2-[(1R,5R,6R)-6-(aminomethyl)-3-cyclopentyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid?
2-[(1R,5R,6R)-6-(aminomethyl)-3-cyclopentyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid has a molecular weight of 249.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5R,6R)-6-(aminomethyl)-3-cyclopentyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid is sourced from PubChem (CID 67199496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).