3-[[(2E,4E,6E,8E)-13-hydroxytetradeca-2,4,6,8-tetraenoyl]amino]propanoic acid

C17H25NO4 — CID 146684497

IUPAC3-[[(2E,4E,6E,8E)-13-hydroxytetradeca-2,4,6,8-tetraenoyl]amino]propanoic acid
SMILESCC(O)CCC/C=C/C=C/C=C/C=C/C(=O)NCCC(=O)O
InChIInChI=1S/C17H25NO4/c1-15(19)11-9-7-5-3-2-4-6-8-10-12-16(20)18-14-13-17(21)22/h2-6,8,10,12,15,19H,7,9,11,13-14H2,1H3,(H,18,20)(H,21,22)/b4-2+,5-3+,8-6+,12-10+
InChIKeySKQMHIZHCBUGRI-RBFBEFBLSA-N
MW307.39 g/mol
LogP2.35
Rot. Bonds11

About 3-[[(2E,4E,6E,8E)-13-hydroxytetradeca-2,4,6,8-tetraenoyl]amino]propanoic acid

3-[[(2E,4E,6E,8E)-13-hydroxytetradeca-2,4,6,8-tetraenoyl]amino]propanoic acid (PubChem CID 146684497) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-[[(2E,4E,6E,8E)-13-hydroxytetradeca-2,4,6,8-tetraenoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(2E,4E,6E,8E)-13-hydroxytetradeca-2,4,6,8-tetraenoyl]amino]propanoic acid
PubChem CID146684497
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name3-[[(2E,4E,6E,8E)-13-hydroxytetradeca-2,4,6,8-tetraenoyl]amino]propanoic acid
SMILESCC(O)CCC/C=C/C=C/C=C/C=C/C(=O)NCCC(=O)O
InChIInChI=1S/C17H25NO4/c1-15(19)11-9-7-5-3-2-4-6-8-10-12-16(20)18-14-13-17(21)22/h2-6,8,10,12,15,19H,7,9,11,13-14H2,1H3,(H,18,20)(H,21,22)/b4-2+,5-3+,8-6+,12-10+
InChIKeySKQMHIZHCBUGRI-RBFBEFBLSA-N
XLogP2.35
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-[[(2E,4E,6E,8E)-13-hydroxytetradeca-2,4,6,8-tetraenoyl]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-[[(2E,4E,6E,8E)-13-hydroxytetradeca-2,4,6,8-tetraenoyl]amino]propanoic acid?
The IUPAC name of 3-[[(2E,4E,6E,8E)-13-hydroxytetradeca-2,4,6,8-tetraenoyl]amino]propanoic acid (CID 146684497) is 3-[[(2E,4E,6E,8E)-13-hydroxytetradeca-2,4,6,8-tetraenoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(2E,4E,6E,8E)-13-hydroxytetradeca-2,4,6,8-tetraenoyl]amino]propanoic acid?
The canonical SMILES for 3-[[(2E,4E,6E,8E)-13-hydroxytetradeca-2,4,6,8-tetraenoyl]amino]propanoic acid is CC(O)CCC/C=C/C=C/C=C/C=C/C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[(2E,4E,6E,8E)-13-hydroxytetradeca-2,4,6,8-tetraenoyl]amino]propanoic acid?
The InChIKey is SKQMHIZHCBUGRI-RBFBEFBLSA-N. The full InChI is InChI=1S/C17H25NO4/c1-15(19)11-9-7-5-3-2-4-6-8-10-12-16(20)18-14-13-17(21)22/h2-6,8,10,12,15,19H,7,9,11,13-14H2,1H3,(H,18,20)(H,21,22)/b4-2+,5-3+,8-6+,12-10+.
What are the key properties of 3-[[(2E,4E,6E,8E)-13-hydroxytetradeca-2,4,6,8-tetraenoyl]amino]propanoic acid?
3-[[(2E,4E,6E,8E)-13-hydroxytetradeca-2,4,6,8-tetraenoyl]amino]propanoic acid has a molecular weight of 307.39 g/mol, XLogP of 2.35, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2E,4E,6E,8E)-13-hydroxytetradeca-2,4,6,8-tetraenoyl]amino]propanoic acid is sourced from PubChem (CID 146684497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).