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

C11H17NO2 — CID 43774225

IUPAC2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetic acid
SMILESCC(NCC(=O)O)C1CC2C=CC1C2
InChIInChI=1S/C11H17NO2/c1-7(12-6-11(13)14)10-5-8-2-3-9(10)4-8/h2-3,7-10,12H,4-6H2,1H3,(H,13,14)
InChIKeyXUVUHIGESKECOG-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.26
Rot. Bonds4

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

2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetic acid (PubChem CID 43774225) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetic acid
PubChem CID43774225
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetic acid
SMILESCC(NCC(=O)O)C1CC2C=CC1C2
InChIInChI=1S/C11H17NO2/c1-7(12-6-11(13)14)10-5-8-2-3-9(10)4-8/h2-3,7-10,12H,4-6H2,1H3,(H,13,14)
InChIKeyXUVUHIGESKECOG-UHFFFAOYSA-N
XLogP1.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.26
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-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetic acid?
The IUPAC name of 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetic acid (CID 43774225) is 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetic acid.
What is the SMILES notation for 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetic acid?
The canonical SMILES for 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetic acid is CC(NCC(=O)O)C1CC2C=CC1C2.
What is the InChIKey of 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetic acid?
The InChIKey is XUVUHIGESKECOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7(12-6-11(13)14)10-5-8-2-3-9(10)4-8/h2-3,7-10,12H,4-6H2,1H3,(H,13,14).
What are the key properties of 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetic acid?
2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetic acid has a molecular weight of 195.26 g/mol, XLogP of 1.26, 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]acetic acid is sourced from PubChem (CID 43774225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).