(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

C11H11NO4 — CID 756618

IUPAC(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CC(=O)N(c2ccccc2O)C1
InChIInChI=1S/C11H11NO4/c13-9-4-2-1-3-8(9)12-6-7(11(15)16)5-10(12)14/h1-4,7,13H,5-6H2,(H,15,16)/t7-/m0/s1
InChIKeyFPQOSKXLHCTVED-ZETCQYMHSA-N
MW221.21 g/mol
LogP0.83
Rot. Bonds2

About (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 756618) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID756618
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CC(=O)N(c2ccccc2O)C1
InChIInChI=1S/C11H11NO4/c13-9-4-2-1-3-8(9)12-6-7(11(15)16)5-10(12)14/h1-4,7,13H,5-6H2,(H,15,16)/t7-/m0/s1
InChIKeyFPQOSKXLHCTVED-ZETCQYMHSA-N
XLogP0.83
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 756618) is (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CC(=O)N(c2ccccc2O)C1.
What is the InChIKey of (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is FPQOSKXLHCTVED-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11NO4/c13-9-4-2-1-3-8(9)12-6-7(11(15)16)5-10(12)14/h1-4,7,13H,5-6H2,(H,15,16)/t7-/m0/s1.
What are the key properties of (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 756618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).