(4-hydroxyphenyl) 5-oxopyrrolidine-2-carboxylate

C11H11NO4 — CID 18372043

IUPAC(4-hydroxyphenyl) 5-oxopyrrolidine-2-carboxylate
SMILESO=C1CCC(C(=O)Oc2ccc(O)cc2)N1
InChIInChI=1S/C11H11NO4/c13-7-1-3-8(4-2-7)16-11(15)9-5-6-10(14)12-9/h1-4,9,13H,5-6H2,(H,12,14)
InChIKeySDJPNDMWNUPUFI-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.58
Rot. Bonds2

About (4-hydroxyphenyl) 5-oxopyrrolidine-2-carboxylate

(4-hydroxyphenyl) 5-oxopyrrolidine-2-carboxylate (PubChem CID 18372043) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is (4-hydroxyphenyl) 5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(4-hydroxyphenyl) 5-oxopyrrolidine-2-carboxylate
PubChem CID18372043
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name(4-hydroxyphenyl) 5-oxopyrrolidine-2-carboxylate
SMILESO=C1CCC(C(=O)Oc2ccc(O)cc2)N1
InChIInChI=1S/C11H11NO4/c13-7-1-3-8(4-2-7)16-11(15)9-5-6-10(14)12-9/h1-4,9,13H,5-6H2,(H,12,14)
InChIKeySDJPNDMWNUPUFI-UHFFFAOYSA-N
XLogP0.58
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(4-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 28739228
[(2S)-5-oxopyrrolidine-2-carbonyl]oxymethyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 66848985
(2R)-5-oxopyrrolidine-2-carbonyl iodide
CID 89494882
2-methoxyethyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 156790382
(2S,7S,12S)-5,10,15,20-tetraoxo-1,6,11,16-tetrazacycloicosane-2,7,12,17-tetracarboxylic acid
CID 177496276
(2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid
CID 76973407
(2,4,6-trinitrophenyl) 5-oxopyrrolidine-2-carboxylate
CID 71440448
[4-(4-methoxyphenyl)-4-oxobutyl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 175932694
1,6-bis(5-oxopyrrolidin-2-yl)hexane-1,6-dione
CID 19796153
prop-2-enyl 5-oxopyrrolidine-2-carboxylate
CID 14038126
[(2S,3S)-3-hydroxybutan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 162899358
(2S)-5-oxopyrrolidine-2-carboxylate
CID 5289118

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) 5-oxopyrrolidine-2-carboxylate?
The IUPAC name of (4-hydroxyphenyl) 5-oxopyrrolidine-2-carboxylate (CID 18372043) is (4-hydroxyphenyl) 5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for (4-hydroxyphenyl) 5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for (4-hydroxyphenyl) 5-oxopyrrolidine-2-carboxylate is O=C1CCC(C(=O)Oc2ccc(O)cc2)N1.
What is the InChIKey of (4-hydroxyphenyl) 5-oxopyrrolidine-2-carboxylate?
The InChIKey is SDJPNDMWNUPUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c13-7-1-3-8(4-2-7)16-11(15)9-5-6-10(14)12-9/h1-4,9,13H,5-6H2,(H,12,14).
What are the key properties of (4-hydroxyphenyl) 5-oxopyrrolidine-2-carboxylate?
(4-hydroxyphenyl) 5-oxopyrrolidine-2-carboxylate has a molecular weight of 221.21 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) 5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 18372043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).