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

C11H11NO4 — CID 96607570

IUPAC(2S,3S)-2-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C1C[C@H](C(=O)O)[C@@H](c2ccccc2O)N1
InChIInChI=1S/C11H11NO4/c13-8-4-2-1-3-6(8)10-7(11(15)16)5-9(14)12-10/h1-4,7,10,13H,5H2,(H,12,14)(H,15,16)/t7-,10+/m0/s1
InChIKeyOCJNZQVZIONRBG-OIBJUYFYSA-N
MW221.21 g/mol
LogP0.65
Rot. Bonds2

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

(2S,3S)-2-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 96607570) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is (2S,3S)-2-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-2-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID96607570
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name(2S,3S)-2-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C1C[C@H](C(=O)O)[C@@H](c2ccccc2O)N1
InChIInChI=1S/C11H11NO4/c13-8-4-2-1-3-6(8)10-7(11(15)16)5-9(14)12-10/h1-4,7,10,13H,5H2,(H,12,14)(H,15,16)/t7-,10+/m0/s1
InChIKeyOCJNZQVZIONRBG-OIBJUYFYSA-N
XLogP0.65
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-2-(2-fluorophenyl)-6-oxopiperidine-3-carboxylic acid
CID 82389062
(2S,3S)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxylic acid
CID 82394638
(2S,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 96899124
(2S,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 138684601
2-(3-hydroxy-6-oxopiperidin-2-yl)benzoic acid
CID 105495827
(2S,3S,5S,6R)-2,6-bis(2-hydroxyphenyl)-3,5-dimethylpiperidin-4-one
CID 6581730
(3aS,9bR)-1,3,3a,4,5,9b-hexahydrobenzo[g]indol-2-one
CID 10997766
4-(2-hydroxyphenyl)-1,1-dioxothiolane-3-carboxylic acid
CID 84805326
3-(2-hydroxyphenyl)piperidine-2,6-dione
CID 171127243
5-(2-fluorophenyl)-4-(trifluoromethyl)pyrrolidin-2-one
CID 145101919
2,5-bis(2-hydroxyphenyl)cyclopentan-1-one
CID 18760303
(2R,3R,5S,6R)-tricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-3,5-dicarboxylic acid
CID 11876849

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (2S,3S)-2-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 96607570) is (2S,3S)-2-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2S,3S)-2-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (2S,3S)-2-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid is O=C1C[C@H](C(=O)O)[C@@H](c2ccccc2O)N1.
What is the InChIKey of (2S,3S)-2-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is OCJNZQVZIONRBG-OIBJUYFYSA-N. The full InChI is InChI=1S/C11H11NO4/c13-8-4-2-1-3-6(8)10-7(11(15)16)5-9(14)12-10/h1-4,7,10,13H,5H2,(H,12,14)(H,15,16)/t7-,10+/m0/s1.
What are the key properties of (2S,3S)-2-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
(2S,3S)-2-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 96607570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).