2-formylpyrrolidine-1-carboxylic acid

C6H9NO3 — CID 18473692

IUPAC2-formylpyrrolidine-1-carboxylic acid
SMILESO=CC1CCCN1C(=O)O
InChIInChI=1S/C6H9NO3/c8-4-5-2-1-3-7(5)6(9)10/h4-5H,1-3H2,(H,9,10)
InChIKeyFTVFUMMKOGYFCJ-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.33
Rot. Bonds1

About 2-formylpyrrolidine-1-carboxylic acid

2-formylpyrrolidine-1-carboxylic acid (PubChem CID 18473692) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2-formylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-formylpyrrolidine-1-carboxylic acid
PubChem CID18473692
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2-formylpyrrolidine-1-carboxylic acid
SMILESO=CC1CCCN1C(=O)O
InChIInChI=1S/C6H9NO3/c8-4-5-2-1-3-7(5)6(9)10/h4-5H,1-3H2,(H,9,10)
InChIKeyFTVFUMMKOGYFCJ-UHFFFAOYSA-N
XLogP0.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-formylpyrrolidine-1-carboxylic 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-formylpyrrolidine-1-carboxylic acid?
The IUPAC name of 2-formylpyrrolidine-1-carboxylic acid (CID 18473692) is 2-formylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-formylpyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-formylpyrrolidine-1-carboxylic acid is O=CC1CCCN1C(=O)O.
What is the InChIKey of 2-formylpyrrolidine-1-carboxylic acid?
The InChIKey is FTVFUMMKOGYFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c8-4-5-2-1-3-7(5)6(9)10/h4-5H,1-3H2,(H,9,10).
What are the key properties of 2-formylpyrrolidine-1-carboxylic acid?
2-formylpyrrolidine-1-carboxylic acid has a molecular weight of 143.14 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 18473692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).