3-(1-bicyclo[2.2.1]heptanyl)-2-iminopropanoic acid

C10H15NO2 — CID 91329754

IUPAC3-(1-bicyclo[2.2.1]heptanyl)-2-iminopropanoic acid
SMILES[H]/N=C(/CC12CCC(CC1)C2)C(=O)O
InChIInChI=1S/C10H15NO2/c11-8(9(12)13)6-10-3-1-7(5-10)2-4-10/h7,11H,1-6H2,(H,12,13)/b11-8-
InChIKeyAVESIXKPAJIIDD-FLIBITNWSA-N
MW181.23 g/mol
LogP2.06
Rot. Bonds3

About 3-(1-bicyclo[2.2.1]heptanyl)-2-iminopropanoic acid

3-(1-bicyclo[2.2.1]heptanyl)-2-iminopropanoic acid (PubChem CID 91329754) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-(1-bicyclo[2.2.1]heptanyl)-2-iminopropanoic acid.

Molecular Properties

Compound Name3-(1-bicyclo[2.2.1]heptanyl)-2-iminopropanoic acid
PubChem CID91329754
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-(1-bicyclo[2.2.1]heptanyl)-2-iminopropanoic acid
SMILES[H]/N=C(/CC12CCC(CC1)C2)C(=O)O
InChIInChI=1S/C10H15NO2/c11-8(9(12)13)6-10-3-1-7(5-10)2-4-10/h7,11H,1-6H2,(H,12,13)/b11-8-
InChIKeyAVESIXKPAJIIDD-FLIBITNWSA-N
XLogP2.06
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-bicyclo[2.2.1]heptanyl)-2-iminopropanoic acid?
The IUPAC name of 3-(1-bicyclo[2.2.1]heptanyl)-2-iminopropanoic acid (CID 91329754) is 3-(1-bicyclo[2.2.1]heptanyl)-2-iminopropanoic acid.
What is the SMILES notation for 3-(1-bicyclo[2.2.1]heptanyl)-2-iminopropanoic acid?
The canonical SMILES for 3-(1-bicyclo[2.2.1]heptanyl)-2-iminopropanoic acid is [H]/N=C(/CC12CCC(CC1)C2)C(=O)O.
What is the InChIKey of 3-(1-bicyclo[2.2.1]heptanyl)-2-iminopropanoic acid?
The InChIKey is AVESIXKPAJIIDD-FLIBITNWSA-N. The full InChI is InChI=1S/C10H15NO2/c11-8(9(12)13)6-10-3-1-7(5-10)2-4-10/h7,11H,1-6H2,(H,12,13)/b11-8-.
What are the key properties of 3-(1-bicyclo[2.2.1]heptanyl)-2-iminopropanoic acid?
3-(1-bicyclo[2.2.1]heptanyl)-2-iminopropanoic acid has a molecular weight of 181.23 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bicyclo[2.2.1]heptanyl)-2-iminopropanoic acid is sourced from PubChem (CID 91329754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).