3-formamidopyrrolidine-1,3-dicarboxylic acid

C7H10N2O5 — CID 90751865

IUPAC3-formamidopyrrolidine-1,3-dicarboxylic acid
SMILESO=CNC1(C(=O)O)CCN(C(=O)O)C1
InChIInChI=1S/C7H10N2O5/c10-4-8-7(5(11)12)1-2-9(3-7)6(13)14/h4H,1-3H2,(H,8,10)(H,11,12)(H,13,14)
InChIKeyVEEUBHCMGZEXET-UHFFFAOYSA-N
MW202.17 g/mol
LogP-1.06
Rot. Bonds3

About 3-formamidopyrrolidine-1,3-dicarboxylic acid

3-formamidopyrrolidine-1,3-dicarboxylic acid (PubChem CID 90751865) has the molecular formula C7H10N2O5 and a molecular weight of 202.17 g/mol. Its IUPAC name is 3-formamidopyrrolidine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name3-formamidopyrrolidine-1,3-dicarboxylic acid
PubChem CID90751865
Molecular FormulaC7H10N2O5
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name3-formamidopyrrolidine-1,3-dicarboxylic acid
SMILESO=CNC1(C(=O)O)CCN(C(=O)O)C1
InChIInChI=1S/C7H10N2O5/c10-4-8-7(5(11)12)1-2-9(3-7)6(13)14/h4H,1-3H2,(H,8,10)(H,11,12)(H,13,14)
InChIKeyVEEUBHCMGZEXET-UHFFFAOYSA-N
XLogP-1.06
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-formamidopyrrolidine-1,3-dicarboxylic 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 3-formamidopyrrolidine-1,3-dicarboxylic acid?
The IUPAC name of 3-formamidopyrrolidine-1,3-dicarboxylic acid (CID 90751865) is 3-formamidopyrrolidine-1,3-dicarboxylic acid.
What is the SMILES notation for 3-formamidopyrrolidine-1,3-dicarboxylic acid?
The canonical SMILES for 3-formamidopyrrolidine-1,3-dicarboxylic acid is O=CNC1(C(=O)O)CCN(C(=O)O)C1.
What is the InChIKey of 3-formamidopyrrolidine-1,3-dicarboxylic acid?
The InChIKey is VEEUBHCMGZEXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5/c10-4-8-7(5(11)12)1-2-9(3-7)6(13)14/h4H,1-3H2,(H,8,10)(H,11,12)(H,13,14).
What are the key properties of 3-formamidopyrrolidine-1,3-dicarboxylic acid?
3-formamidopyrrolidine-1,3-dicarboxylic acid has a molecular weight of 202.17 g/mol, XLogP of -1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formamidopyrrolidine-1,3-dicarboxylic acid is sourced from PubChem (CID 90751865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).