2-formylpyrrolidine-2-carboxylic acid

C6H9NO3 — CID 139777637

IUPAC2-formylpyrrolidine-2-carboxylic acid
SMILESO=CC1(C(=O)O)CCCN1
InChIInChI=1S/C6H9NO3/c8-4-6(5(9)10)2-1-3-7-6/h4,7H,1-3H2,(H,9,10)
InChIKeyHDBVRFWSAIVBJW-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.61
Rot. Bonds2

About 2-formylpyrrolidine-2-carboxylic acid

2-formylpyrrolidine-2-carboxylic acid (PubChem CID 139777637) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2-formylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-formylpyrrolidine-2-carboxylic acid
PubChem CID139777637
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2-formylpyrrolidine-2-carboxylic acid
SMILESO=CC1(C(=O)O)CCCN1
InChIInChI=1S/C6H9NO3/c8-4-6(5(9)10)2-1-3-7-6/h4,7H,1-3H2,(H,9,10)
InChIKeyHDBVRFWSAIVBJW-UHFFFAOYSA-N
XLogP-0.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-formylpyrrolidine-2-carboxylic acid?
The IUPAC name of 2-formylpyrrolidine-2-carboxylic acid (CID 139777637) is 2-formylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-formylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-formylpyrrolidine-2-carboxylic acid is O=CC1(C(=O)O)CCCN1.
What is the InChIKey of 2-formylpyrrolidine-2-carboxylic acid?
The InChIKey is HDBVRFWSAIVBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c8-4-6(5(9)10)2-1-3-7-6/h4,7H,1-3H2,(H,9,10).
What are the key properties of 2-formylpyrrolidine-2-carboxylic acid?
2-formylpyrrolidine-2-carboxylic acid has a molecular weight of 143.14 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 139777637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).