methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate

C14H17NO4 — CID 84581536

IUPACmethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccccc2OC)C1
InChIInChI=1S/C14H17NO4/c1-18-12-6-4-3-5-11(12)13(16)15-8-7-10(9-15)14(17)19-2/h3-6,10H,7-9H2,1-2H3
InChIKeyMURQLSGERSWJJA-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.33
Rot. Bonds3

About methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate

methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate (PubChem CID 84581536) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
PubChem CID84581536
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccccc2OC)C1
InChIInChI=1S/C14H17NO4/c1-18-12-6-4-3-5-11(12)13(16)15-8-7-10(9-15)14(17)19-2/h3-6,10H,7-9H2,1-2H3
InChIKeyMURQLSGERSWJJA-UHFFFAOYSA-N
XLogP1.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322202
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate
CID 78919045
methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylate
CID 113226241
methyl 1-(2-nitrobenzoyl)pyrrolidine-3-carboxylate
CID 47340240
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623
1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea
CID 127232346
methyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate
CID 78950884
methyl 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-3-carboxylate
CID 78945614
1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63007028
(4-amino-3-methylpiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119592557

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate (CID 84581536) is methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)c2ccccc2OC)C1.
What is the InChIKey of methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate?
The InChIKey is MURQLSGERSWJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-18-12-6-4-3-5-11(12)13(16)15-8-7-10(9-15)14(17)19-2/h3-6,10H,7-9H2,1-2H3.
What are the key properties of methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate?
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 84581536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).