4-hydroxypyrrolidine-2,2-dicarboxylic acid

C6H9NO5 — CID 19426691

IUPAC4-hydroxypyrrolidine-2,2-dicarboxylic acid
SMILESO=C(O)C1(C(=O)O)CC(O)CN1
InChIInChI=1S/C6H9NO5/c8-3-1-6(4(9)10,5(11)12)7-2-3/h3,7-8H,1-2H2,(H,9,10)(H,11,12)
InChIKeyITLBQIIZWPDSEM-UHFFFAOYSA-N
MW175.14 g/mol
LogP-1.75
Rot. Bonds2

About 4-hydroxypyrrolidine-2,2-dicarboxylic acid

4-hydroxypyrrolidine-2,2-dicarboxylic acid (PubChem CID 19426691) has the molecular formula C6H9NO5 and a molecular weight of 175.14 g/mol. Its IUPAC name is 4-hydroxypyrrolidine-2,2-dicarboxylic acid.

Molecular Properties

Compound Name4-hydroxypyrrolidine-2,2-dicarboxylic acid
PubChem CID19426691
Molecular FormulaC6H9NO5
Molecular Weight175.14 g/mol
Exact Mass175.05
IUPAC Name4-hydroxypyrrolidine-2,2-dicarboxylic acid
SMILESO=C(O)C1(C(=O)O)CC(O)CN1
InChIInChI=1S/C6H9NO5/c8-3-1-6(4(9)10,5(11)12)7-2-3/h3,7-8H,1-2H2,(H,9,10)(H,11,12)
InChIKeyITLBQIIZWPDSEM-UHFFFAOYSA-N
XLogP-1.75
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxypyrrolidine-2,2-dicarboxylic acid?
The IUPAC name of 4-hydroxypyrrolidine-2,2-dicarboxylic acid (CID 19426691) is 4-hydroxypyrrolidine-2,2-dicarboxylic acid.
What is the SMILES notation for 4-hydroxypyrrolidine-2,2-dicarboxylic acid?
The canonical SMILES for 4-hydroxypyrrolidine-2,2-dicarboxylic acid is O=C(O)C1(C(=O)O)CC(O)CN1.
What is the InChIKey of 4-hydroxypyrrolidine-2,2-dicarboxylic acid?
The InChIKey is ITLBQIIZWPDSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO5/c8-3-1-6(4(9)10,5(11)12)7-2-3/h3,7-8H,1-2H2,(H,9,10)(H,11,12).
What are the key properties of 4-hydroxypyrrolidine-2,2-dicarboxylic acid?
4-hydroxypyrrolidine-2,2-dicarboxylic acid has a molecular weight of 175.14 g/mol, XLogP of -1.75, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypyrrolidine-2,2-dicarboxylic acid is sourced from PubChem (CID 19426691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).