2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetic acid

C10H15NO2 — CID 43774210

IUPAC2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetic acid
SMILESO=C(O)CNCC1CC2C=CC1C2
InChIInChI=1S/C10H15NO2/c12-10(13)6-11-5-9-4-7-1-2-8(9)3-7/h1-2,7-9,11H,3-6H2,(H,12,13)
InChIKeyKTKJAOWRTZWYAC-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.87
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetic acid

2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetic acid (PubChem CID 43774210) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetic acid.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetic acid
PubChem CID43774210
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetic acid
SMILESO=C(O)CNCC1CC2C=CC1C2
InChIInChI=1S/C10H15NO2/c12-10(13)6-11-5-9-4-7-1-2-8(9)3-7/h1-2,7-9,11H,3-6H2,(H,12,13)
InChIKeyKTKJAOWRTZWYAC-UHFFFAOYSA-N
XLogP0.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.87
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-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetic acid?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetic acid (CID 43774210) is 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetic acid.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetic acid?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetic acid is O=C(O)CNCC1CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetic acid?
The InChIKey is KTKJAOWRTZWYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-10(13)6-11-5-9-4-7-1-2-8(9)3-7/h1-2,7-9,11H,3-6H2,(H,12,13).
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetic acid?
2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetic acid has a molecular weight of 181.23 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetic acid is sourced from PubChem (CID 43774210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).