2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)propanoic acid

C11H15NO3 — CID 24691523

IUPAC2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)propanoic acid
SMILESCC(NC(=O)C1CC2C=CC1C2)C(=O)O
InChIInChI=1S/C11H15NO3/c1-6(11(14)15)12-10(13)9-5-7-2-3-8(9)4-7/h2-3,6-9H,4-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyMIACSBKYQQGVTI-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.79
Rot. Bonds3

About 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)propanoic acid

2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)propanoic acid (PubChem CID 24691523) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)propanoic acid
PubChem CID24691523
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)propanoic acid
SMILESCC(NC(=O)C1CC2C=CC1C2)C(=O)O
InChIInChI=1S/C11H15NO3/c1-6(11(14)15)12-10(13)9-5-7-2-3-8(9)4-7/h2-3,6-9H,4-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyMIACSBKYQQGVTI-UHFFFAOYSA-N
XLogP0.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.79
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-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)propanoic acid?
The IUPAC name of 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)propanoic acid (CID 24691523) is 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)propanoic acid.
What is the SMILES notation for 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)propanoic acid?
The canonical SMILES for 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)propanoic acid is CC(NC(=O)C1CC2C=CC1C2)C(=O)O.
What is the InChIKey of 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)propanoic acid?
The InChIKey is MIACSBKYQQGVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-6(11(14)15)12-10(13)9-5-7-2-3-8(9)4-7/h2-3,6-9H,4-5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)propanoic acid?
2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)propanoic acid has a molecular weight of 209.24 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)propanoic acid is sourced from PubChem (CID 24691523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).