# Search by IUPAC

<mark style="color:green;">`POST`</mark> `/iupac`

### Headers

| Name         | Value              |
| ------------ | ------------------ |
| Content-Type | `application/json` |

### Body

| Name    | Type    | Description                                                                                                              |
| ------- | ------- | ------------------------------------------------------------------------------------------------------------------------ |
| `IUPAC` | string  | IUPAC (complete or partial)                                                                                              |
| `limit` | integer | Optional parameter that specifies how many results should be returned. Valid values range from 1 to 100. Defaults to 10. |

### GraphQL schema

{% code overflow="wrap" %}

```graphql
query ByIUPAC ($iupac: String!, $limit: Int = 10) {
    molecules (IUPAC: $iupac, limit: $limit) { # Here described fields to include in the response
        CID
        IUPAC
        SMILES
        InChI
        InChIKey
        synonyms
    }
}
```

{% endcode %}

### Response

{% tabs %}
{% tab title="200" %}

### OK response from API:

{% code overflow="wrap" %}

```json
{
    "molecules": [
        {
            "CID": 39912,
            "IUPAC": "(2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid",
            "SMILES": "C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)O",
            "InChI": "InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1",
            "InChIKey": "HEFNNWSXXWATRW-JTQLQIEISA-N",
            "synonyms": [
                "(S)-(+)-Ibuprofen",
                ...
            ]
        },
        ...
    ]
}
```

{% endcode %}
{% endtab %}

{% tab title="400" %}

### When parameters is invalid:

{% code overflow="wrap" %}

```json
{
    "error": {
        "message": "Inputs are invalid or missing",
        "errors": [
            "\"limit\": Value error, Limit value should be in range 1 to 100"
        ]
    }
}
```

{% endcode %}
{% endtab %}

{% tab title="415" %}

### When payload is not a valid JSON:

```json
{
    "error": {
        "message": "Invalid content type."
    }
}
```

{% endtab %}

{% tab title="500" %}

### When unexpected error occurs:

```json
{
    "error": {
        "message": "Unexpected error occurred"
    }
}
```

{% endtab %}
{% endtabs %}

### **Requests example**

{% tabs %}
{% tab title="Python" %}

```python
import requests

payload = {
    "query": """query ByIUPAC ($iupac: String!, $limit: Int = 10) {
        molecules (IUPAC: $iupac, limit: $limit) { 
            CID
            IUPAC
            SMILES
            InChI
            InChIKey
            synonyms
        }
    }""",
    "variables": {"iupac": "(2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid"}
}

resp = requests.post(
    url=API_URL,
    json=payload,
)
print(resp.json())
```

{% endtab %}
{% endtabs %}


---

# Agent Instructions: Querying This Documentation

If you need additional information that is not directly available in this page, you can query the documentation dynamically by asking a question.

Perform an HTTP GET request on the current page URL with the `ask` query parameter:

```
GET https://semanticchemistdocs.knowledgator.com/api/search-by-iupac.md?ask=<question>
```

The question should be specific, self-contained, and written in natural language.
The response will contain a direct answer to the question and relevant excerpts and sources from the documentation.

Use this mechanism when the answer is not explicitly present in the current page, you need clarification or additional context, or you want to retrieve related documentation sections.