2-[[(2Z)-14,14-dibromotetradeca-2,13-dienoyl]amino]acetic acid

C16H25Br2NO3 — CID 25242623

IUPAC2-[[(2Z)-14,14-dibromotetradeca-2,13-dienoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)/C=C\CCCCCCCCCC=C(Br)Br
InChIInChI=1S/C16H25Br2NO3/c17-14(18)11-9-7-5-3-1-2-4-6-8-10-12-15(20)19-13-16(21)22/h10-12H,1-9,13H2,(H,19,20)(H,21,22)/b12-10-
InChIKeyZLIHRGDEFDFVOK-BENRWUELSA-N
MW439.19 g/mol
LogP4.89
Rot. Bonds13

About 2-[[(2Z)-14,14-dibromotetradeca-2,13-dienoyl]amino]acetic acid

2-[[(2Z)-14,14-dibromotetradeca-2,13-dienoyl]amino]acetic acid (PubChem CID 25242623) has the molecular formula C16H25Br2NO3 and a molecular weight of 439.19 g/mol. Its IUPAC name is 2-[[(2Z)-14,14-dibromotetradeca-2,13-dienoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2Z)-14,14-dibromotetradeca-2,13-dienoyl]amino]acetic acid
PubChem CID25242623
Molecular FormulaC16H25Br2NO3
Molecular Weight439.19 g/mol
Exact Mass437.02
IUPAC Name2-[[(2Z)-14,14-dibromotetradeca-2,13-dienoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)/C=C\CCCCCCCCCC=C(Br)Br
InChIInChI=1S/C16H25Br2NO3/c17-14(18)11-9-7-5-3-1-2-4-6-8-10-12-15(20)19-13-16(21)22/h10-12H,1-9,13H2,(H,19,20)(H,21,22)/b12-10-
InChIKeyZLIHRGDEFDFVOK-BENRWUELSA-N
XLogP4.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.19
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[(2Z)-14,14-dibromotetradeca-2,13-dienoyl]amino]acetic 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 2-[[(2Z)-14,14-dibromotetradeca-2,13-dienoyl]amino]acetic acid?
The IUPAC name of 2-[[(2Z)-14,14-dibromotetradeca-2,13-dienoyl]amino]acetic acid (CID 25242623) is 2-[[(2Z)-14,14-dibromotetradeca-2,13-dienoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2Z)-14,14-dibromotetradeca-2,13-dienoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2Z)-14,14-dibromotetradeca-2,13-dienoyl]amino]acetic acid is O=C(O)CNC(=O)/C=C\CCCCCCCCCC=C(Br)Br.
What is the InChIKey of 2-[[(2Z)-14,14-dibromotetradeca-2,13-dienoyl]amino]acetic acid?
The InChIKey is ZLIHRGDEFDFVOK-BENRWUELSA-N. The full InChI is InChI=1S/C16H25Br2NO3/c17-14(18)11-9-7-5-3-1-2-4-6-8-10-12-15(20)19-13-16(21)22/h10-12H,1-9,13H2,(H,19,20)(H,21,22)/b12-10-.
What are the key properties of 2-[[(2Z)-14,14-dibromotetradeca-2,13-dienoyl]amino]acetic acid?
2-[[(2Z)-14,14-dibromotetradeca-2,13-dienoyl]amino]acetic acid has a molecular weight of 439.19 g/mol, XLogP of 4.89, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2Z)-14,14-dibromotetradeca-2,13-dienoyl]amino]acetic acid is sourced from PubChem (CID 25242623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).