ethyl 2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetate

C15H22N2O2 — CID 54921193

IUPACethyl 2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetate
SMILESCCOC(=O)CNCc1ccccc1N1CCCC1
InChIInChI=1S/C15H22N2O2/c1-2-19-15(18)12-16-11-13-7-3-4-8-14(13)17-9-5-6-10-17/h3-4,7-8,16H,2,5-6,9-12H2,1H3
InChIKeyXWESSDYORSAPCM-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.94
Rot. Bonds6

About ethyl 2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetate

ethyl 2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetate (PubChem CID 54921193) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetate
PubChem CID54921193
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl 2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetate
SMILESCCOC(=O)CNCc1ccccc1N1CCCC1
InChIInChI=1S/C15H22N2O2/c1-2-19-15(18)12-16-11-13-7-3-4-8-14(13)17-9-5-6-10-17/h3-4,7-8,16H,2,5-6,9-12H2,1H3
InChIKeyXWESSDYORSAPCM-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43221678
ethyl 2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetate
CID 54921268
ethyl 1-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]piperidine-4-carboxylate
CID 60580696
3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide
CID 43777430
2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43778380
ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate
CID 60923273
ethyl 2-[(2-carbamoylphenyl)methylamino]acetate
CID 60812400
2-methyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide
CID 61220361
2-(2-piperidin-1-ylphenyl)acetohydrazide
CID 10847264
N-[(2-pyrrolidin-1-ylphenyl)methyl]but-2-yn-1-amine
CID 113342039
N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine
CID 43220494
3-[(2-pyrrolidin-1-ylphenyl)methylamino]butanamide
CID 115676792

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetate?
The IUPAC name of ethyl 2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetate (CID 54921193) is ethyl 2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetate is CCOC(=O)CNCc1ccccc1N1CCCC1.
What is the InChIKey of ethyl 2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetate?
The InChIKey is XWESSDYORSAPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-19-15(18)12-16-11-13-7-3-4-8-14(13)17-9-5-6-10-17/h3-4,7-8,16H,2,5-6,9-12H2,1H3.
What are the key properties of ethyl 2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetate?
ethyl 2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetate has a molecular weight of 262.35 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetate is sourced from PubChem (CID 54921193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).