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;bis(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

C60H95N5O10 — CID 161090524

About 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;bis(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

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;bis(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 (PubChem CID 161090524) has the molecular formula C60H95N5O10 and a molecular weight of 1046.44 g/mol. Its IUPAC name is 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;bis(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.

Molecular Properties

• Compound Name: 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;bis(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
• PubChem CID: 161090524
• Molecular Formula: C60H95N5O10
• Molecular Weight: 1046.44 g/mol
• Exact Mass: 1045.71
• IUPAC Name: 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;bis(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
• SMILES: CC=C1C[C@H]2C[C@@](CN)(CC(=O)O)[C@H]2C1.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.CCC1=C[C@H]2[C@@H](C1)C[C@@]2(CN)CC(=O)O
• InChI: InChI=1S/5C12H19NO2/c5*1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8/h4*4,9-10H,2-3,5-7,13H2,1H3,(H,14,15);2,9-10H,3-7,13H2,1H3,(H,14,15)/t9-,10-,12+;4*9-,10-,12-/m11100/s1
• InChIKey: UHCLDFGFSUXAPT-IWEPAQDQSA-N
• XLogP: 8.91
• TPSA: 316.60 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1046.44
LogP ≤ 5	8.91
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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;bis(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?

The IUPAC name of 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;bis(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 (CID 161090524) is 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;bis(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.

What is the SMILES notation for 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;bis(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?

The canonical SMILES for 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;bis(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 is CC=C1C[C@H]2C[C@@](CN)(CC(=O)O)[C@H]2C1.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.CCC1=C[C@H]2[C@@H](C1)C[C@@]2(CN)CC(=O)O.

What is the InChIKey of 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;bis(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?

The InChIKey is UHCLDFGFSUXAPT-IWEPAQDQSA-N. The full InChI is InChI=1S/5C12H19NO2/c5*1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8/h4*4,9-10H,2-3,5-7,13H2,1H3,(H,14,15);2,9-10H,3-7,13H2,1H3,(H,14,15)/t9-,10-,12+;4*9-,10-,12-/m11100/s1.

What are the key properties of 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;bis(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?

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;bis(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 has a molecular weight of 1046.44 g/mol, XLogP of 8.91, 19 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 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;bis(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 is sourced from PubChem (CID 161090524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).