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

C11H17NO2 — CID 59509753

IUPAC2-[(1R,5S,6S)-6-(aminomethyl)-3-methyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid
SMILESCC1=C[C@@H]2[C@H](C1)C[C@]2(CN)CC(=O)O
InChIInChI=1S/C11H17NO2/c1-7-2-8-4-11(6-12,5-10(13)14)9(8)3-7/h3,8-9H,2,4-6,12H2,1H3,(H,13,14)/t8-,9-,11-/m1/s1
InChIKeyHJNICJYALOSZRL-FXPVBKGRSA-N
MW195.26 g/mol
LogP1.39
Rot. Bonds3

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

2-[(1R,5S,6S)-6-(aminomethyl)-3-methyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid (PubChem CID 59509753) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-[(1R,5S,6S)-6-(aminomethyl)-3-methyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,5S,6S)-6-(aminomethyl)-3-methyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid
PubChem CID59509753
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-[(1R,5S,6S)-6-(aminomethyl)-3-methyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid
SMILESCC1=C[C@@H]2[C@H](C1)C[C@]2(CN)CC(=O)O
InChIInChI=1S/C11H17NO2/c1-7-2-8-4-11(6-12,5-10(13)14)9(8)3-7/h3,8-9H,2,4-6,12H2,1H3,(H,13,14)/t8-,9-,11-/m1/s1
InChIKeyHJNICJYALOSZRL-FXPVBKGRSA-N
XLogP1.39
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.39
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,5S,6S)-6-(aminomethyl)-3-methyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid?
The IUPAC name of 2-[(1R,5S,6S)-6-(aminomethyl)-3-methyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid (CID 59509753) is 2-[(1R,5S,6S)-6-(aminomethyl)-3-methyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid.
What is the SMILES notation for 2-[(1R,5S,6S)-6-(aminomethyl)-3-methyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid?
The canonical SMILES for 2-[(1R,5S,6S)-6-(aminomethyl)-3-methyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid is CC1=C[C@@H]2[C@H](C1)C[C@]2(CN)CC(=O)O.
What is the InChIKey of 2-[(1R,5S,6S)-6-(aminomethyl)-3-methyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid?
The InChIKey is HJNICJYALOSZRL-FXPVBKGRSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7-2-8-4-11(6-12,5-10(13)14)9(8)3-7/h3,8-9H,2,4-6,12H2,1H3,(H,13,14)/t8-,9-,11-/m1/s1.
What are the key properties of 2-[(1R,5S,6S)-6-(aminomethyl)-3-methyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid?
2-[(1R,5S,6S)-6-(aminomethyl)-3-methyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid has a molecular weight of 195.26 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5S,6S)-6-(aminomethyl)-3-methyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid is sourced from PubChem (CID 59509753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).