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

C14H17NO4 — CID 531462

IUPACmethyl 1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H17NO4/c1-18-11-7-5-10(6-8-11)13(16)15-9-3-4-12(15)14(17)19-2/h5-8,12H,3-4,9H2,1-2H3
InChIKeyOCNAZFCOCMJDJO-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.47
Rot. Bonds3

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

methyl 1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate (PubChem CID 531462) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate
PubChem CID531462
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H17NO4/c1-18-11-7-5-10(6-8-11)13(16)15-9-3-4-12(15)14(17)19-2/h5-8,12H,3-4,9H2,1-2H3
InChIKeyOCNAZFCOCMJDJO-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate (CID 531462) is methyl 1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate?
The InChIKey is OCNAZFCOCMJDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-18-11-7-5-10(6-8-11)13(16)15-9-3-4-12(15)14(17)19-2/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of methyl 1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate?
methyl 1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 531462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).