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

C10H13NO3 — CID 24691859

IUPAC2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)C1CC2C=CC1C2
InChIInChI=1S/C10H13NO3/c12-9(13)5-11-10(14)8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2,(H,11,14)(H,12,13)
InChIKeyHBFKKDYTBPLOJV-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.40
Rot. Bonds3

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

2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)acetic acid (PubChem CID 24691859) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)acetic acid
PubChem CID24691859
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)C1CC2C=CC1C2
InChIInChI=1S/C10H13NO3/c12-9(13)5-11-10(14)8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2,(H,11,14)(H,12,13)
InChIKeyHBFKKDYTBPLOJV-UHFFFAOYSA-N
XLogP0.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.40
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)acetic acid?
The IUPAC name of 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)acetic acid (CID 24691859) is 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)acetic acid.
What is the SMILES notation for 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)acetic acid?
The canonical SMILES for 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)acetic acid is O=C(O)CNC(=O)C1CC2C=CC1C2.
What is the InChIKey of 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)acetic acid?
The InChIKey is HBFKKDYTBPLOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-9(13)5-11-10(14)8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2,(H,11,14)(H,12,13).
What are the key properties of 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)acetic acid?
2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)acetic acid has a molecular weight of 195.22 g/mol, XLogP of 0.40, 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)acetic acid is sourced from PubChem (CID 24691859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).