methyl 2-(4-pyrrolidin-3-ylphenyl)acetate

C13H17NO2 — CID 117275092

IUPACmethyl 2-(4-pyrrolidin-3-ylphenyl)acetate
SMILESCOC(=O)Cc1ccc(C2CCNC2)cc1
InChIInChI=1S/C13H17NO2/c1-16-13(15)8-10-2-4-11(5-3-10)12-6-7-14-9-12/h2-5,12,14H,6-9H2,1H3
InChIKeyPACLRBBXINQTJL-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.48
Rot. Bonds3

About methyl 2-(4-pyrrolidin-3-ylphenyl)acetate

methyl 2-(4-pyrrolidin-3-ylphenyl)acetate (PubChem CID 117275092) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 2-(4-pyrrolidin-3-ylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-pyrrolidin-3-ylphenyl)acetate
PubChem CID117275092
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl 2-(4-pyrrolidin-3-ylphenyl)acetate
SMILESCOC(=O)Cc1ccc(C2CCNC2)cc1
InChIInChI=1S/C13H17NO2/c1-16-13(15)8-10-2-4-11(5-3-10)12-6-7-14-9-12/h2-5,12,14H,6-9H2,1H3
InChIKeyPACLRBBXINQTJL-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-cycloheptylphenyl)acetate
CID 54417181
methyl 2-(4-pyrrolidin-2-ylphenyl)acetate
CID 70987357
methyl 2-[4-[(2R)-pyrrolidin-2-yl]phenyl]acetate
CID 66518883
methyl 2-[4-(piperidin-4-ylmethyl)phenyl]acetate
CID 118703296
(1S)-1-methoxy-1-phenyl-3-(4-pyrrolidin-3-ylphenyl)propan-2-one
CID 58315799
1-(2-fluoro-4-methoxyphenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone
CID 58315633
methyl 5-(4-cyclobutylphenyl)-4-oxopentanoate
CID 116506694
ethyl 4-pyrrolidin-3-ylbenzoate
CID 116988515
6,6,6-trifluoro-4-methyl-1-(4-pyrrolidin-3-ylphenyl)hexan-2-one
CID 159412163
methyl 3-[4-(N-methyl-4-piperidin-4-ylanilino)phenyl]propanoate
CID 67844835
2-methyl-4-(4-pyrrolidin-3-ylphenyl)butan-2-ol
CID 117116636
methyl 3-[4-[(4-piperidin-4-ylphenyl)methylamino]phenyl]propanoate
CID 67844812

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-pyrrolidin-3-ylphenyl)acetate?
The IUPAC name of methyl 2-(4-pyrrolidin-3-ylphenyl)acetate (CID 117275092) is methyl 2-(4-pyrrolidin-3-ylphenyl)acetate.
What is the SMILES notation for methyl 2-(4-pyrrolidin-3-ylphenyl)acetate?
The canonical SMILES for methyl 2-(4-pyrrolidin-3-ylphenyl)acetate is COC(=O)Cc1ccc(C2CCNC2)cc1.
What is the InChIKey of methyl 2-(4-pyrrolidin-3-ylphenyl)acetate?
The InChIKey is PACLRBBXINQTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-13(15)8-10-2-4-11(5-3-10)12-6-7-14-9-12/h2-5,12,14H,6-9H2,1H3.
What are the key properties of methyl 2-(4-pyrrolidin-3-ylphenyl)acetate?
methyl 2-(4-pyrrolidin-3-ylphenyl)acetate has a molecular weight of 219.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-pyrrolidin-3-ylphenyl)acetate is sourced from PubChem (CID 117275092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).