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

C14H17NO5 — CID 19011715

IUPACmethyl 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H17NO5/c1-19-11-5-3-9(4-6-11)13(17)15-8-10(16)7-12(15)14(18)20-2/h3-6,10,12,16H,7-8H2,1-2H3
InChIKeyDOXXDXSALAHJHP-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.44
Rot. Bonds3

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

methyl 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate (PubChem CID 19011715) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is methyl 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate
PubChem CID19011715
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Namemethyl 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H17NO5/c1-19-11-5-3-9(4-6-11)13(17)15-8-10(16)7-12(15)14(18)20-2/h3-6,10,12,16H,7-8H2,1-2H3
InChIKeyDOXXDXSALAHJHP-UHFFFAOYSA-N
XLogP0.44
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-hydroxy-1-(4-hydroxybenzoyl)pyrrolidine-2-carboxylate
CID 112632486
methyl 1-(4-ethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115970845
methyl 4-hydroxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylate
CID 115971048
methyl 4-hydroxy-1-(6-methylpyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 112632300
methyl 4-(2-fluorophenoxy)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 90620084
methyl (2R,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 134263030
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
(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
CID 11194838
[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 100671019

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate (CID 19011715) is methyl 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1C(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate?
The InChIKey is DOXXDXSALAHJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-19-11-5-3-9(4-6-11)13(17)15-8-10(16)7-12(15)14(18)20-2/h3-6,10,12,16H,7-8H2,1-2H3.
What are the key properties of methyl 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate has a molecular weight of 279.29 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 19011715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).