(2S,3R)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid

C11H11NO3 — CID 12968918

IUPAC(2S,3R)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid
SMILESO=C1C[C@H](c2ccccc2)[C@@H](C(=O)O)N1
InChIInChI=1S/C11H11NO3/c13-9-6-8(10(12-9)11(14)15)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,12,13)(H,14,15)/t8-,10+/m1/s1
InChIKeyVJHDVBWGNFOKAT-SCZZXKLOSA-N
MW205.21 g/mol
LogP0.74
Rot. Bonds2

About (2S,3R)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid

(2S,3R)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid (PubChem CID 12968918) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (2S,3R)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid
PubChem CID12968918
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(2S,3R)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid
SMILESO=C1C[C@H](c2ccccc2)[C@@H](C(=O)O)N1
InChIInChI=1S/C11H11NO3/c13-9-6-8(10(12-9)11(14)15)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,12,13)(H,14,15)/t8-,10+/m1/s1
InChIKeyVJHDVBWGNFOKAT-SCZZXKLOSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3R)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid (CID 12968918) is (2S,3R)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3R)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid is O=C1C[C@H](c2ccccc2)[C@@H](C(=O)O)N1.
What is the InChIKey of (2S,3R)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid?
The InChIKey is VJHDVBWGNFOKAT-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H11NO3/c13-9-6-8(10(12-9)11(14)15)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,12,13)(H,14,15)/t8-,10+/m1/s1.
What are the key properties of (2S,3R)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid?
(2S,3R)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 12968918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).