2-[(1S,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-2-enyl]acetic acid;2-[(1S,5R,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1S,5S,6R)-6-(aminomethyl)-3-ethylidene-6-bicyclo[3.2.0]heptanyl]acetic acid;[(1R,5S,6R)-3,6-diethyl-6-bicyclo[3.2.0]hept-3-enyl]methanamine

C72H116N6O10 — CID 158511528

About 2-[(1S,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-2-enyl]acetic acid;2-[(1S,5R,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1S,5S,6R)-6-(aminomethyl)-3-ethylidene-6-bicyclo[3.2.0]heptanyl]acetic acid;[(1R,5S,6R)-3,6-diethyl-6-bicyclo[3.2.0]hept-3-enyl]methanamine

2-[(1S,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-2-enyl]acetic acid;2-[(1S,5R,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1S,5S,6R)-6-(aminomethyl)-3-ethylidene-6-bicyclo[3.2.0]heptanyl]acetic acid;[(1R,5S,6R)-3,6-diethyl-6-bicyclo[3.2.0]hept-3-enyl]methanamine (PubChem CID 158511528) has the molecular formula C72H116N6O10 and a molecular weight of 1225.75 g/mol. Its IUPAC name is 2-[(1S,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-2-enyl]acetic acid;2-[(1S,5R,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1S,5S,6R)-6-(aminomethyl)-3-ethylidene-6-bicyclo[3.2.0]heptanyl]acetic acid;[(1R,5S,6R)-3,6-diethyl-6-bicyclo[3.2.0]hept-3-enyl]methanamine.

Molecular Properties

• Compound Name: 2-[(1S,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-2-enyl]acetic acid;2-[(1S,5R,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1S,5S,6R)-6-(aminomethyl)-3-ethylidene-6-bicyclo[3.2.0]heptanyl]acetic acid;[(1R,5S,6R)-3,6-diethyl-6-bicyclo[3.2.0]hept-3-enyl]methanamine
• PubChem CID: 158511528
• Molecular Formula: C72H116N6O10
• Molecular Weight: 1225.75 g/mol
• Exact Mass: 1224.88
• IUPAC Name: 2-[(1S,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-2-enyl]acetic acid;2-[(1S,5R,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1S,5S,6R)-6-(aminomethyl)-3-ethylidene-6-bicyclo[3.2.0]heptanyl]acetic acid;[(1R,5S,6R)-3,6-diethyl-6-bicyclo[3.2.0]hept-3-enyl]methanamine
• SMILES: CC=C1C[C@H]2C[C@@](CN)(CC(=O)O)[C@H]2C1.CCC1=C[C@@H]2C[C@](CN)(CC(=O)O)[C@@H]2C1.CCC1=C[C@@H]2[C@H](C1)C[C@@]2(CC)CN.CCC1=C[C@@H]2[C@H](C1)C[C@@]2(CN)CC(=O)O.CCC1=C[C@@H]2[C@H](C1)C[C@]2(CN)CC(=O)O.CCC1=C[C@H]2[C@@H](C1)C[C@@]2(CN)CC(=O)O
• InChI: InChI=1S/5C12H19NO2.C12H21N/c5*1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8;1-3-9-5-10-7-12(4-2,8-13)11(10)6-9/h3*4,9-10H,2-3,5-7,13H2,1H3,(H,14,15);3,9-10H,2,4-7,13H2,1H3,(H,14,15);2,9-10H,3-7,13H2,1H3,(H,14,15);6,10-11H,3-5,7-8,13H2,1-2H3/t9-,10-,12+;4*9-,10-,12-;10-,11-,12+/m110101/s1
• InChIKey: HLCRPEAPWXSPNX-VAFFICLASA-N
• XLogP: 11.63
• TPSA: 342.62 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 11
• Rotatable Bonds: 22
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1225.75
LogP ≤ 5	11.63
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-2-enyl]acetic acid;2-[(1S,5R,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1S,5S,6R)-6-(aminomethyl)-3-ethylidene-6-bicyclo[3.2.0]heptanyl]acetic acid;[(1R,5S,6R)-3,6-diethyl-6-bicyclo[3.2.0]hept-3-enyl]methanamine?

The IUPAC name of 2-[(1S,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-2-enyl]acetic acid;2-[(1S,5R,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1S,5S,6R)-6-(aminomethyl)-3-ethylidene-6-bicyclo[3.2.0]heptanyl]acetic acid;[(1R,5S,6R)-3,6-diethyl-6-bicyclo[3.2.0]hept-3-enyl]methanamine (CID 158511528) is 2-[(1S,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-2-enyl]acetic acid;2-[(1S,5R,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1S,5S,6R)-6-(aminomethyl)-3-ethylidene-6-bicyclo[3.2.0]heptanyl]acetic acid;[(1R,5S,6R)-3,6-diethyl-6-bicyclo[3.2.0]hept-3-enyl]methanamine.

What is the SMILES notation for 2-[(1S,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-2-enyl]acetic acid;2-[(1S,5R,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1S,5S,6R)-6-(aminomethyl)-3-ethylidene-6-bicyclo[3.2.0]heptanyl]acetic acid;[(1R,5S,6R)-3,6-diethyl-6-bicyclo[3.2.0]hept-3-enyl]methanamine?

The canonical SMILES for 2-[(1S,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-2-enyl]acetic acid;2-[(1S,5R,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1S,5S,6R)-6-(aminomethyl)-3-ethylidene-6-bicyclo[3.2.0]heptanyl]acetic acid;[(1R,5S,6R)-3,6-diethyl-6-bicyclo[3.2.0]hept-3-enyl]methanamine is CC=C1C[C@H]2C[C@@](CN)(CC(=O)O)[C@H]2C1.CCC1=C[C@@H]2C[C@](CN)(CC(=O)O)[C@@H]2C1.CCC1=C[C@@H]2[C@H](C1)C[C@@]2(CC)CN.CCC1=C[C@@H]2[C@H](C1)C[C@@]2(CN)CC(=O)O.CCC1=C[C@@H]2[C@H](C1)C[C@]2(CN)CC(=O)O.CCC1=C[C@H]2[C@@H](C1)C[C@@]2(CN)CC(=O)O.

What is the InChIKey of 2-[(1S,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-2-enyl]acetic acid;2-[(1S,5R,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1S,5S,6R)-6-(aminomethyl)-3-ethylidene-6-bicyclo[3.2.0]heptanyl]acetic acid;[(1R,5S,6R)-3,6-diethyl-6-bicyclo[3.2.0]hept-3-enyl]methanamine?

The InChIKey is HLCRPEAPWXSPNX-VAFFICLASA-N. The full InChI is InChI=1S/5C12H19NO2.C12H21N/c5*1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8;1-3-9-5-10-7-12(4-2,8-13)11(10)6-9/h3*4,9-10H,2-3,5-7,13H2,1H3,(H,14,15);3,9-10H,2,4-7,13H2,1H3,(H,14,15);2,9-10H,3-7,13H2,1H3,(H,14,15);6,10-11H,3-5,7-8,13H2,1-2H3/t9-,10-,12+;4*9-,10-,12-;10-,11-,12+/m110101/s1.

What are the key properties of 2-[(1S,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-2-enyl]acetic acid;2-[(1S,5R,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1S,5S,6R)-6-(aminomethyl)-3-ethylidene-6-bicyclo[3.2.0]heptanyl]acetic acid;[(1R,5S,6R)-3,6-diethyl-6-bicyclo[3.2.0]hept-3-enyl]methanamine?

2-[(1S,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-2-enyl]acetic acid;2-[(1S,5R,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1S,5S,6R)-6-(aminomethyl)-3-ethylidene-6-bicyclo[3.2.0]heptanyl]acetic acid;[(1R,5S,6R)-3,6-diethyl-6-bicyclo[3.2.0]hept-3-enyl]methanamine has a molecular weight of 1225.75 g/mol, XLogP of 11.63, 22 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-2-enyl]acetic acid;2-[(1S,5R,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6R)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;2-[(1S,5S,6R)-6-(aminomethyl)-3-ethylidene-6-bicyclo[3.2.0]heptanyl]acetic acid;[(1R,5S,6R)-3,6-diethyl-6-bicyclo[3.2.0]hept-3-enyl]methanamine is sourced from PubChem (CID 158511528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).