5-imino-4-phenylpentanoic acid

C11H13NO2 — CID 91239017

IUPAC5-imino-4-phenylpentanoic acid
SMILES[H]/N=C/C(CCC(=O)O)c1ccccc1
InChIInChI=1S/C11H13NO2/c12-8-10(6-7-11(13)14)9-4-2-1-3-5-9/h1-5,8,10,12H,6-7H2,(H,13,14)/b12-8+
InChIKeyRGHKXMZHLFYEDZ-XYOKQWHBSA-N
MW191.23 g/mol
LogP2.28
Rot. Bonds5

About 5-imino-4-phenylpentanoic acid

5-imino-4-phenylpentanoic acid (PubChem CID 91239017) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-imino-4-phenylpentanoic acid.

Molecular Properties

Compound Name5-imino-4-phenylpentanoic acid
PubChem CID91239017
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name5-imino-4-phenylpentanoic acid
SMILES[H]/N=C/C(CCC(=O)O)c1ccccc1
InChIInChI=1S/C11H13NO2/c12-8-10(6-7-11(13)14)9-4-2-1-3-5-9/h1-5,8,10,12H,6-7H2,(H,13,14)/b12-8+
InChIKeyRGHKXMZHLFYEDZ-XYOKQWHBSA-N
XLogP2.28
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.28
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 5-imino-4-phenylpentanoic acid?
The IUPAC name of 5-imino-4-phenylpentanoic acid (CID 91239017) is 5-imino-4-phenylpentanoic acid.
What is the SMILES notation for 5-imino-4-phenylpentanoic acid?
The canonical SMILES for 5-imino-4-phenylpentanoic acid is [H]/N=C/C(CCC(=O)O)c1ccccc1.
What is the InChIKey of 5-imino-4-phenylpentanoic acid?
The InChIKey is RGHKXMZHLFYEDZ-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H13NO2/c12-8-10(6-7-11(13)14)9-4-2-1-3-5-9/h1-5,8,10,12H,6-7H2,(H,13,14)/b12-8+.
What are the key properties of 5-imino-4-phenylpentanoic acid?
5-imino-4-phenylpentanoic acid has a molecular weight of 191.23 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-4-phenylpentanoic acid is sourced from PubChem (CID 91239017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).