(3S,4R)-2-oxo-4-phenylpyrrolidine-3-carboxylic acid

C11H11NO3 — CID 762603

IUPAC(3S,4R)-2-oxo-4-phenylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1C(=O)NC[C@H]1c1ccccc1
InChIInChI=1S/C11H11NO3/c13-10-9(11(14)15)8(6-12-10)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,12,13)(H,14,15)/t8-,9-/m0/s1
InChIKeyUOQRZCNCICUPJO-IUCAKERBSA-N
MW205.21 g/mol
LogP0.60
Rot. Bonds2

About (3S,4R)-2-oxo-4-phenylpyrrolidine-3-carboxylic acid

(3S,4R)-2-oxo-4-phenylpyrrolidine-3-carboxylic acid (PubChem CID 762603) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (3S,4R)-2-oxo-4-phenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-2-oxo-4-phenylpyrrolidine-3-carboxylic acid
PubChem CID762603
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(3S,4R)-2-oxo-4-phenylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1C(=O)NC[C@H]1c1ccccc1
InChIInChI=1S/C11H11NO3/c13-10-9(11(14)15)8(6-12-10)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,12,13)(H,14,15)/t8-,9-/m0/s1
InChIKeyUOQRZCNCICUPJO-IUCAKERBSA-N
XLogP0.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (3S,4R)-2-oxo-4-phenylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4R)-2-oxo-4-phenylpyrrolidine-3-carboxylic acid (CID 762603) is (3S,4R)-2-oxo-4-phenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4R)-2-oxo-4-phenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4R)-2-oxo-4-phenylpyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1C(=O)NC[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-2-oxo-4-phenylpyrrolidine-3-carboxylic acid?
The InChIKey is UOQRZCNCICUPJO-IUCAKERBSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10-9(11(14)15)8(6-12-10)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,12,13)(H,14,15)/t8-,9-/m0/s1.
What are the key properties of (3S,4R)-2-oxo-4-phenylpyrrolidine-3-carboxylic acid?
(3S,4R)-2-oxo-4-phenylpyrrolidine-3-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-2-oxo-4-phenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 762603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).