(3R,4R)-3,4-dihydroxy-1-prop-2-ynylpyrrolidine-2,5-dione

C7H7NO4 — CID 142701304

IUPAC(3R,4R)-3,4-dihydroxy-1-prop-2-ynylpyrrolidine-2,5-dione
SMILESC#CCN1C(=O)[C@H](O)[C@@H](O)C1=O
InChIInChI=1S/C7H7NO4/c1-2-3-8-6(11)4(9)5(10)7(8)12/h1,4-5,9-10H,3H2/t4-,5-/m1/s1
InChIKeyPJTXBTHCUBINOO-RFZPGFLSSA-N
MW169.14 g/mol
LogP-2.29
Rot. Bonds1

About (3R,4R)-3,4-dihydroxy-1-prop-2-ynylpyrrolidine-2,5-dione

(3R,4R)-3,4-dihydroxy-1-prop-2-ynylpyrrolidine-2,5-dione (PubChem CID 142701304) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is (3R,4R)-3,4-dihydroxy-1-prop-2-ynylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R,4R)-3,4-dihydroxy-1-prop-2-ynylpyrrolidine-2,5-dione
PubChem CID142701304
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Name(3R,4R)-3,4-dihydroxy-1-prop-2-ynylpyrrolidine-2,5-dione
SMILESC#CCN1C(=O)[C@H](O)[C@@H](O)C1=O
InChIInChI=1S/C7H7NO4/c1-2-3-8-6(11)4(9)5(10)7(8)12/h1,4-5,9-10H,3H2/t4-,5-/m1/s1
InChIKeyPJTXBTHCUBINOO-RFZPGFLSSA-N
XLogP-2.29
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-2.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,4R)-3,4-dihydroxy-1-prop-2-ynylpyrrolidine-2,5-dione 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 (3R,4R)-3,4-dihydroxy-1-prop-2-ynylpyrrolidine-2,5-dione?
The IUPAC name of (3R,4R)-3,4-dihydroxy-1-prop-2-ynylpyrrolidine-2,5-dione (CID 142701304) is (3R,4R)-3,4-dihydroxy-1-prop-2-ynylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R,4R)-3,4-dihydroxy-1-prop-2-ynylpyrrolidine-2,5-dione?
The canonical SMILES for (3R,4R)-3,4-dihydroxy-1-prop-2-ynylpyrrolidine-2,5-dione is C#CCN1C(=O)[C@H](O)[C@@H](O)C1=O.
What is the InChIKey of (3R,4R)-3,4-dihydroxy-1-prop-2-ynylpyrrolidine-2,5-dione?
The InChIKey is PJTXBTHCUBINOO-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H7NO4/c1-2-3-8-6(11)4(9)5(10)7(8)12/h1,4-5,9-10H,3H2/t4-,5-/m1/s1.
What are the key properties of (3R,4R)-3,4-dihydroxy-1-prop-2-ynylpyrrolidine-2,5-dione?
(3R,4R)-3,4-dihydroxy-1-prop-2-ynylpyrrolidine-2,5-dione has a molecular weight of 169.14 g/mol, XLogP of -2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-dihydroxy-1-prop-2-ynylpyrrolidine-2,5-dione is sourced from PubChem (CID 142701304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).