(2Z,4E)-2-amino-5-phenylpenta-2,4-dienoic acid

C11H11NO2 — CID 6443639

IUPAC(2Z,4E)-2-amino-5-phenylpenta-2,4-dienoic acid
SMILESN/C(=C\C=C\c1ccccc1)C(=O)O
InChIInChI=1S/C11H11NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-8H,12H2,(H,13,14)/b7-4+,10-8-
InChIKeyCINBHSZSHUCENE-DODKFZKMSA-N
MW189.21 g/mol
LogP1.63
Rot. Bonds3

About (2Z,4E)-2-amino-5-phenylpenta-2,4-dienoic acid

(2Z,4E)-2-amino-5-phenylpenta-2,4-dienoic acid (PubChem CID 6443639) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (2Z,4E)-2-amino-5-phenylpenta-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z,4E)-2-amino-5-phenylpenta-2,4-dienoic acid
PubChem CID6443639
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(2Z,4E)-2-amino-5-phenylpenta-2,4-dienoic acid
SMILESN/C(=C\C=C\c1ccccc1)C(=O)O
InChIInChI=1S/C11H11NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-8H,12H2,(H,13,14)/b7-4+,10-8-
InChIKeyCINBHSZSHUCENE-DODKFZKMSA-N
XLogP1.63
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2-amino-5-phenylpenta-2,4-dienoic acid?
The IUPAC name of (2Z,4E)-2-amino-5-phenylpenta-2,4-dienoic acid (CID 6443639) is (2Z,4E)-2-amino-5-phenylpenta-2,4-dienoic acid.
What is the SMILES notation for (2Z,4E)-2-amino-5-phenylpenta-2,4-dienoic acid?
The canonical SMILES for (2Z,4E)-2-amino-5-phenylpenta-2,4-dienoic acid is N/C(=C\C=C\c1ccccc1)C(=O)O.
What is the InChIKey of (2Z,4E)-2-amino-5-phenylpenta-2,4-dienoic acid?
The InChIKey is CINBHSZSHUCENE-DODKFZKMSA-N. The full InChI is InChI=1S/C11H11NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-8H,12H2,(H,13,14)/b7-4+,10-8-.
What are the key properties of (2Z,4E)-2-amino-5-phenylpenta-2,4-dienoic acid?
(2Z,4E)-2-amino-5-phenylpenta-2,4-dienoic acid has a molecular weight of 189.21 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-amino-5-phenylpenta-2,4-dienoic acid is sourced from PubChem (CID 6443639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).