methyl 4-hydroxy-1-(4-hydroxybenzoyl)pyrrolidine-2-carboxylate

C13H15NO5 — CID 112632486

IUPACmethyl 4-hydroxy-1-(4-hydroxybenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)c1ccc(O)cc1
InChIInChI=1S/C13H15NO5/c1-19-13(18)11-6-10(16)7-14(11)12(17)8-2-4-9(15)5-3-8/h2-5,10-11,15-16H,6-7H2,1H3
InChIKeyTXUFHXDXHJUVIM-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.14
Rot. Bonds2

About methyl 4-hydroxy-1-(4-hydroxybenzoyl)pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-(4-hydroxybenzoyl)pyrrolidine-2-carboxylate (PubChem CID 112632486) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is methyl 4-hydroxy-1-(4-hydroxybenzoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-(4-hydroxybenzoyl)pyrrolidine-2-carboxylate
PubChem CID112632486
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Namemethyl 4-hydroxy-1-(4-hydroxybenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)c1ccc(O)cc1
InChIInChI=1S/C13H15NO5/c1-19-13(18)11-6-10(16)7-14(11)12(17)8-2-4-9(15)5-3-8/h2-5,10-11,15-16H,6-7H2,1H3
InChIKeyTXUFHXDXHJUVIM-UHFFFAOYSA-N
XLogP0.14
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 19011715
methyl 1-(4-ethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115970845
methyl 4-hydroxy-1-(6-methylpyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 112632300
methyl 4-hydroxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylate
CID 115971048
methyl 4-hydroxy-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylate
CID 112632513
methyl 1-(2,4-dimethylbenzoyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115971329
methyl (2S,4R)-4-hydroxy-1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 75448003
methyl (2S,4S)-1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 1480349
methyl 1-(2,4-difluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115970979
methyl 4-amino-1-benzoylpyrrolidine-2-carboxylate;hydrochloride
CID 75088456
methyl 4-hydroxy-1-(1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 112632472
methyl 4-hydroxy-1-(2-hydroxy-5-iodobenzoyl)pyrrolidine-2-carboxylate
CID 107732268

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-(4-hydroxybenzoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-(4-hydroxybenzoyl)pyrrolidine-2-carboxylate (CID 112632486) is methyl 4-hydroxy-1-(4-hydroxybenzoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-(4-hydroxybenzoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-(4-hydroxybenzoyl)pyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1C(=O)c1ccc(O)cc1.
What is the InChIKey of methyl 4-hydroxy-1-(4-hydroxybenzoyl)pyrrolidine-2-carboxylate?
The InChIKey is TXUFHXDXHJUVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-19-13(18)11-6-10(16)7-14(11)12(17)8-2-4-9(15)5-3-8/h2-5,10-11,15-16H,6-7H2,1H3.
What are the key properties of methyl 4-hydroxy-1-(4-hydroxybenzoyl)pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-(4-hydroxybenzoyl)pyrrolidine-2-carboxylate has a molecular weight of 265.26 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-(4-hydroxybenzoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 112632486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).