1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

C11H11NO4 — CID 3145397

IUPAC1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(O)cc2)C1
InChIInChI=1S/C11H11NO4/c13-9-3-1-8(2-4-9)12-6-7(11(15)16)5-10(12)14/h1-4,7,13H,5-6H2,(H,15,16)
InChIKeyBJEYOPOUMSTVNI-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.83
Rot. Bonds2

About 1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 3145397) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID3145397
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(O)cc2)C1
InChIInChI=1S/C11H11NO4/c13-9-3-1-8(2-4-9)12-6-7(11(15)16)5-10(12)14/h1-4,7,13H,5-6H2,(H,15,16)
InChIKeyBJEYOPOUMSTVNI-UHFFFAOYSA-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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Related Compounds

1-(4-Methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2736758
4-(4-Hydroxyanilino)-4-oxobutanoic acid
CID 605610
N-(4-hydroxyphenyl)-N-methylacetamide
CID 221111
1-(3-Hydroxyphenyl)pyrrolidin-2-one
CID 736761
5-Oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2741833
1-(2-Methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
Methyl 1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinecarboxylate
CID 2967353
1-(4-Hydroxyphenyl)-2-pyrrolidinone
CID 785586
(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 756618
1-(4-Hydroxyphenyl)pyrrolidine-2,5-dione
CID 946468
5-Oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxylic acid
CID 2741829
N-Acetyl-N-(4-hydroxyphenyl)glycine
CID 11063673

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 3145397) is 1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2ccc(O)cc2)C1.
What is the InChIKey of 1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is BJEYOPOUMSTVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c13-9-3-1-8(2-4-9)12-6-7(11(15)16)5-10(12)14/h1-4,7,13H,5-6H2,(H,15,16).
What are the key properties of 1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(4-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 1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 3145397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).