methyl 5-(4-hydroxy-1-methyl-5-oxopyrrolidin-2-yl)-2-methoxybenzoate

C14H17NO5 — CID 171854452

IUPACmethyl 5-(4-hydroxy-1-methyl-5-oxopyrrolidin-2-yl)-2-methoxybenzoate
SMILESCOC(=O)c1cc(C2CC(O)C(=O)N2C)ccc1OC
InChIInChI=1S/C14H17NO5/c1-15-10(7-11(16)13(15)17)8-4-5-12(19-2)9(6-8)14(18)20-3/h4-6,10-11,16H,7H2,1-3H3
InChIKeyPRLMUIDRFZIFMG-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.75
Rot. Bonds3

About methyl 5-(4-hydroxy-1-methyl-5-oxopyrrolidin-2-yl)-2-methoxybenzoate

methyl 5-(4-hydroxy-1-methyl-5-oxopyrrolidin-2-yl)-2-methoxybenzoate (PubChem CID 171854452) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is methyl 5-(4-hydroxy-1-methyl-5-oxopyrrolidin-2-yl)-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-(4-hydroxy-1-methyl-5-oxopyrrolidin-2-yl)-2-methoxybenzoate
PubChem CID171854452
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Namemethyl 5-(4-hydroxy-1-methyl-5-oxopyrrolidin-2-yl)-2-methoxybenzoate
SMILESCOC(=O)c1cc(C2CC(O)C(=O)N2C)ccc1OC
InChIInChI=1S/C14H17NO5/c1-15-10(7-11(16)13(15)17)8-4-5-12(19-2)9(6-8)14(18)20-3/h4-6,10-11,16H,7H2,1-3H3
InChIKeyPRLMUIDRFZIFMG-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-hydroxy-1-methyl-5-oxopyrrolidin-2-yl)-2-methoxybenzoate?
The IUPAC name of methyl 5-(4-hydroxy-1-methyl-5-oxopyrrolidin-2-yl)-2-methoxybenzoate (CID 171854452) is methyl 5-(4-hydroxy-1-methyl-5-oxopyrrolidin-2-yl)-2-methoxybenzoate.
What is the SMILES notation for methyl 5-(4-hydroxy-1-methyl-5-oxopyrrolidin-2-yl)-2-methoxybenzoate?
The canonical SMILES for methyl 5-(4-hydroxy-1-methyl-5-oxopyrrolidin-2-yl)-2-methoxybenzoate is COC(=O)c1cc(C2CC(O)C(=O)N2C)ccc1OC.
What is the InChIKey of methyl 5-(4-hydroxy-1-methyl-5-oxopyrrolidin-2-yl)-2-methoxybenzoate?
The InChIKey is PRLMUIDRFZIFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-15-10(7-11(16)13(15)17)8-4-5-12(19-2)9(6-8)14(18)20-3/h4-6,10-11,16H,7H2,1-3H3.
What are the key properties of methyl 5-(4-hydroxy-1-methyl-5-oxopyrrolidin-2-yl)-2-methoxybenzoate?
methyl 5-(4-hydroxy-1-methyl-5-oxopyrrolidin-2-yl)-2-methoxybenzoate has a molecular weight of 279.29 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-hydroxy-1-methyl-5-oxopyrrolidin-2-yl)-2-methoxybenzoate is sourced from PubChem (CID 171854452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).