2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]acetic acid

C8H11NO2 — CID 98092323

IUPAC2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]acetic acid
SMILESO=C(O)CN1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C8H11NO2/c10-8(11)5-9-4-6-1-2-7(9)3-6/h1-2,6-7H,3-5H2,(H,10,11)/t6-,7-/m0/s1
InChIKeyYKXJWSJTCMNFNW-BQBZGAKWSA-N
MW153.18 g/mol
LogP0.33
Rot. Bonds2

About 2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]acetic acid

2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]acetic acid (PubChem CID 98092323) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]acetic acid
PubChem CID98092323
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]acetic acid
SMILESO=C(O)CN1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C8H11NO2/c10-8(11)5-9-4-6-1-2-7(9)3-6/h1-2,6-7H,3-5H2,(H,10,11)/t6-,7-/m0/s1
InChIKeyYKXJWSJTCMNFNW-BQBZGAKWSA-N
XLogP0.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.33
H-Bond Donors ≤ 51
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-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]acetic acid?
The IUPAC name of 2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]acetic acid (CID 98092323) is 2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]acetic acid.
What is the SMILES notation for 2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]acetic acid?
The canonical SMILES for 2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]acetic acid is O=C(O)CN1C[C@H]2C=C[C@H]1C2.
What is the InChIKey of 2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]acetic acid?
The InChIKey is YKXJWSJTCMNFNW-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H11NO2/c10-8(11)5-9-4-6-1-2-7(9)3-6/h1-2,6-7H,3-5H2,(H,10,11)/t6-,7-/m0/s1.
What are the key properties of 2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]acetic acid?
2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]acetic acid has a molecular weight of 153.18 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]acetic acid is sourced from PubChem (CID 98092323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).