2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoic acid

C12H19NO2 — CID 61499787

IUPAC2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoic acid
SMILESCC(NC(C)C1CC2C=CC1C2)C(=O)O
InChIInChI=1S/C12H19NO2/c1-7(13-8(2)12(14)15)11-6-9-3-4-10(11)5-9/h3-4,7-11,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyCISIACOIOYDRCR-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.65
Rot. Bonds4

About 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoic acid

2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoic acid (PubChem CID 61499787) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoic acid.

Molecular Properties

Compound Name2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoic acid
PubChem CID61499787
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoic acid
SMILESCC(NC(C)C1CC2C=CC1C2)C(=O)O
InChIInChI=1S/C12H19NO2/c1-7(13-8(2)12(14)15)11-6-9-3-4-10(11)5-9/h3-4,7-11,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyCISIACOIOYDRCR-UHFFFAOYSA-N
XLogP1.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoic acid 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 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoic acid?
The IUPAC name of 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoic acid (CID 61499787) is 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoic acid.
What is the SMILES notation for 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoic acid?
The canonical SMILES for 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoic acid is CC(NC(C)C1CC2C=CC1C2)C(=O)O.
What is the InChIKey of 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoic acid?
The InChIKey is CISIACOIOYDRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-7(13-8(2)12(14)15)11-6-9-3-4-10(11)5-9/h3-4,7-11,13H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoic acid?
2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoic acid has a molecular weight of 209.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoic acid is sourced from PubChem (CID 61499787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).