methyl 2-(3-methoxy-2-pyrrolidin-1-ylphenyl)acetate

C14H19NO3 — CID 168513456

IUPACmethyl 2-(3-methoxy-2-pyrrolidin-1-ylphenyl)acetate
SMILESCOC(=O)Cc1cccc(OC)c1N1CCCC1
InChIInChI=1S/C14H19NO3/c1-17-12-7-5-6-11(10-13(16)18-2)14(12)15-8-3-4-9-15/h5-7H,3-4,8-10H2,1-2H3
InChIKeyBVUHZNUVZBOYOL-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.01
Rot. Bonds4

About methyl 2-(3-methoxy-2-pyrrolidin-1-ylphenyl)acetate

methyl 2-(3-methoxy-2-pyrrolidin-1-ylphenyl)acetate (PubChem CID 168513456) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2-(3-methoxy-2-pyrrolidin-1-ylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-methoxy-2-pyrrolidin-1-ylphenyl)acetate
PubChem CID168513456
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 2-(3-methoxy-2-pyrrolidin-1-ylphenyl)acetate
SMILESCOC(=O)Cc1cccc(OC)c1N1CCCC1
InChIInChI=1S/C14H19NO3/c1-17-12-7-5-6-11(10-13(16)18-2)14(12)15-8-3-4-9-15/h5-7H,3-4,8-10H2,1-2H3
InChIKeyBVUHZNUVZBOYOL-UHFFFAOYSA-N
XLogP2.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 169375587
ethane;3-methoxy-2-pyrrolidin-1-ylbenzaldehyde;N-methylmethanamine
CID 143920429
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
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methyl 2-[2-(4-chlorophenyl)-3-methoxyphenyl]acetate
CID 12732376
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
1-(2,6-diethylphenyl)piperidine
CID 10608826
2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298244
methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate
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methyl 2-[2-(2,5-dihydropyrrol-1-yl)phenyl]acetate
CID 10398443
N-[2-(aminomethyl)-6-methoxyphenyl]azepane-1-carboxamide
CID 107467309

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methoxy-2-pyrrolidin-1-ylphenyl)acetate?
The IUPAC name of methyl 2-(3-methoxy-2-pyrrolidin-1-ylphenyl)acetate (CID 168513456) is methyl 2-(3-methoxy-2-pyrrolidin-1-ylphenyl)acetate.
What is the SMILES notation for methyl 2-(3-methoxy-2-pyrrolidin-1-ylphenyl)acetate?
The canonical SMILES for methyl 2-(3-methoxy-2-pyrrolidin-1-ylphenyl)acetate is COC(=O)Cc1cccc(OC)c1N1CCCC1.
What is the InChIKey of methyl 2-(3-methoxy-2-pyrrolidin-1-ylphenyl)acetate?
The InChIKey is BVUHZNUVZBOYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-12-7-5-6-11(10-13(16)18-2)14(12)15-8-3-4-9-15/h5-7H,3-4,8-10H2,1-2H3.
What are the key properties of methyl 2-(3-methoxy-2-pyrrolidin-1-ylphenyl)acetate?
methyl 2-(3-methoxy-2-pyrrolidin-1-ylphenyl)acetate has a molecular weight of 249.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methoxy-2-pyrrolidin-1-ylphenyl)acetate is sourced from PubChem (CID 168513456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).