3-[hydroxy(9-phenylnonanoyl)amino]propanoic acid

C18H27NO4 — CID 71735840

IUPAC3-[hydroxy(9-phenylnonanoyl)amino]propanoic acid
SMILESO=C(O)CCN(O)C(=O)CCCCCCCCc1ccccc1
InChIInChI=1S/C18H27NO4/c20-17(19(23)15-14-18(21)22)13-9-4-2-1-3-6-10-16-11-7-5-8-12-16/h5,7-8,11-12,23H,1-4,6,9-10,13-15H2,(H,21,22)
InChIKeyOSZACJJEDFRFON-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.65
Rot. Bonds12

About 3-[hydroxy(9-phenylnonanoyl)amino]propanoic acid

3-[hydroxy(9-phenylnonanoyl)amino]propanoic acid (PubChem CID 71735840) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-[hydroxy(9-phenylnonanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[hydroxy(9-phenylnonanoyl)amino]propanoic acid
PubChem CID71735840
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name3-[hydroxy(9-phenylnonanoyl)amino]propanoic acid
SMILESO=C(O)CCN(O)C(=O)CCCCCCCCc1ccccc1
InChIInChI=1S/C18H27NO4/c20-17(19(23)15-14-18(21)22)13-9-4-2-1-3-6-10-16-11-7-5-8-12-16/h5,7-8,11-12,23H,1-4,6,9-10,13-15H2,(H,21,22)
InChIKeyOSZACJJEDFRFON-UHFFFAOYSA-N
XLogP3.65
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[hydroxy(9-phenylnonanoyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(9-phenylnonanoyl)amino]propanoic acid?
The IUPAC name of 3-[hydroxy(9-phenylnonanoyl)amino]propanoic acid (CID 71735840) is 3-[hydroxy(9-phenylnonanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[hydroxy(9-phenylnonanoyl)amino]propanoic acid?
The canonical SMILES for 3-[hydroxy(9-phenylnonanoyl)amino]propanoic acid is O=C(O)CCN(O)C(=O)CCCCCCCCc1ccccc1.
What is the InChIKey of 3-[hydroxy(9-phenylnonanoyl)amino]propanoic acid?
The InChIKey is OSZACJJEDFRFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c20-17(19(23)15-14-18(21)22)13-9-4-2-1-3-6-10-16-11-7-5-8-12-16/h5,7-8,11-12,23H,1-4,6,9-10,13-15H2,(H,21,22).
What are the key properties of 3-[hydroxy(9-phenylnonanoyl)amino]propanoic acid?
3-[hydroxy(9-phenylnonanoyl)amino]propanoic acid has a molecular weight of 321.42 g/mol, XLogP of 3.65, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(9-phenylnonanoyl)amino]propanoic acid is sourced from PubChem (CID 71735840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).