2-pyrrolidin-1-ylethyl 2-(4-aminophenyl)acetate

C14H20N2O2 — CID 89180853

IUPAC2-pyrrolidin-1-ylethyl 2-(4-aminophenyl)acetate
SMILESNc1ccc(CC(=O)OCCN2CCCC2)cc1
InChIInChI=1S/C14H20N2O2/c15-13-5-3-12(4-6-13)11-14(17)18-10-9-16-7-1-2-8-16/h3-6H,1-2,7-11,15H2
InChIKeyRWZBSBWNYZVRIL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.45
Rot. Bonds5

About 2-pyrrolidin-1-ylethyl 2-(4-aminophenyl)acetate

2-pyrrolidin-1-ylethyl 2-(4-aminophenyl)acetate (PubChem CID 89180853) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylethyl 2-(4-aminophenyl)acetate.

Molecular Properties

Compound Name2-pyrrolidin-1-ylethyl 2-(4-aminophenyl)acetate
PubChem CID89180853
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-pyrrolidin-1-ylethyl 2-(4-aminophenyl)acetate
SMILESNc1ccc(CC(=O)OCCN2CCCC2)cc1
InChIInChI=1S/C14H20N2O2/c15-13-5-3-12(4-6-13)11-14(17)18-10-9-16-7-1-2-8-16/h3-6H,1-2,7-11,15H2
InChIKeyRWZBSBWNYZVRIL-UHFFFAOYSA-N
XLogP1.45
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-pyrrolidin-1-ylethyl 2-(4-aminophenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pyrrolidin-1-ylethyl 4-aminobenzoate
CID 10243125
2-morpholin-4-ylethyl 2-phenylacetate
CID 797103
2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride
CID 23622530
bis(2-piperidin-1-ylethyl) butanedioate
CID 71369193
1-[4-[2-(azepan-1-yl)ethoxy]phenyl]propan-2-one
CID 70526687
2-(4-aminophenyl)-N-(5-piperidin-1-ylpentyl)acetamide;dihydrochloride
CID 119885427
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate
CID 104563048
2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide
CID 68784634
2-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)acetamide
CID 110643034
2-(4-aminophenyl)ethaneperoxoic acid
CID 19931513
[2-(4-aminophenyl)acetyl]oxymercury
CID 140524085
amino 2-(4-aminophenyl)acetate
CID 66872043

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylethyl 2-(4-aminophenyl)acetate?
The IUPAC name of 2-pyrrolidin-1-ylethyl 2-(4-aminophenyl)acetate (CID 89180853) is 2-pyrrolidin-1-ylethyl 2-(4-aminophenyl)acetate.
What is the SMILES notation for 2-pyrrolidin-1-ylethyl 2-(4-aminophenyl)acetate?
The canonical SMILES for 2-pyrrolidin-1-ylethyl 2-(4-aminophenyl)acetate is Nc1ccc(CC(=O)OCCN2CCCC2)cc1.
What is the InChIKey of 2-pyrrolidin-1-ylethyl 2-(4-aminophenyl)acetate?
The InChIKey is RWZBSBWNYZVRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-13-5-3-12(4-6-13)11-14(17)18-10-9-16-7-1-2-8-16/h3-6H,1-2,7-11,15H2.
What are the key properties of 2-pyrrolidin-1-ylethyl 2-(4-aminophenyl)acetate?
2-pyrrolidin-1-ylethyl 2-(4-aminophenyl)acetate has a molecular weight of 248.33 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylethyl 2-(4-aminophenyl)acetate is sourced from PubChem (CID 89180853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).