(3R)-3-[(1S)-1-hydroxybutyl]pyrrolidine-2,5-dione

C8H13NO3 — CID 101392556

IUPAC(3R)-3-[(1S)-1-hydroxybutyl]pyrrolidine-2,5-dione
SMILESCCC[C@H](O)[C@H]1CC(=O)NC1=O
InChIInChI=1S/C8H13NO3/c1-2-3-6(10)5-4-7(11)9-8(5)12/h5-6,10H,2-4H2,1H3,(H,9,11,12)/t5-,6+/m1/s1
InChIKeyKWULBYQYCMJWMW-RITPCOANSA-N
MW171.20 g/mol
LogP-0.19
Rot. Bonds3

About (3R)-3-[(1S)-1-hydroxybutyl]pyrrolidine-2,5-dione

(3R)-3-[(1S)-1-hydroxybutyl]pyrrolidine-2,5-dione (PubChem CID 101392556) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (3R)-3-[(1S)-1-hydroxybutyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[(1S)-1-hydroxybutyl]pyrrolidine-2,5-dione
PubChem CID101392556
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(3R)-3-[(1S)-1-hydroxybutyl]pyrrolidine-2,5-dione
SMILESCCC[C@H](O)[C@H]1CC(=O)NC1=O
InChIInChI=1S/C8H13NO3/c1-2-3-6(10)5-4-7(11)9-8(5)12/h5-6,10H,2-4H2,1H3,(H,9,11,12)/t5-,6+/m1/s1
InChIKeyKWULBYQYCMJWMW-RITPCOANSA-N
XLogP-0.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1S)-1-hydroxybutyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[(1S)-1-hydroxybutyl]pyrrolidine-2,5-dione (CID 101392556) is (3R)-3-[(1S)-1-hydroxybutyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[(1S)-1-hydroxybutyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[(1S)-1-hydroxybutyl]pyrrolidine-2,5-dione is CCC[C@H](O)[C@H]1CC(=O)NC1=O.
What is the InChIKey of (3R)-3-[(1S)-1-hydroxybutyl]pyrrolidine-2,5-dione?
The InChIKey is KWULBYQYCMJWMW-RITPCOANSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-3-6(10)5-4-7(11)9-8(5)12/h5-6,10H,2-4H2,1H3,(H,9,11,12)/t5-,6+/m1/s1.
What are the key properties of (3R)-3-[(1S)-1-hydroxybutyl]pyrrolidine-2,5-dione?
(3R)-3-[(1S)-1-hydroxybutyl]pyrrolidine-2,5-dione has a molecular weight of 171.20 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1S)-1-hydroxybutyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 101392556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).