[3-[benzyl(ethyl)amino]pyrrolidin-1-yl] 2,2-dimethylpropanoate

C18H28N2O2 — CID 174881651

IUPAC[3-[benzyl(ethyl)amino]pyrrolidin-1-yl] 2,2-dimethylpropanoate
SMILESCCN(Cc1ccccc1)C1CCN(OC(=O)C(C)(C)C)C1
InChIInChI=1S/C18H28N2O2/c1-5-19(13-15-9-7-6-8-10-15)16-11-12-20(14-16)22-17(21)18(2,3)4/h6-10,16H,5,11-14H2,1-4H3
InChIKeyHYRJKGKUSRLKSR-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.09
Rot. Bonds5

About [3-[benzyl(ethyl)amino]pyrrolidin-1-yl] 2,2-dimethylpropanoate

[3-[benzyl(ethyl)amino]pyrrolidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174881651) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is [3-[benzyl(ethyl)amino]pyrrolidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[3-[benzyl(ethyl)amino]pyrrolidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174881651
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name[3-[benzyl(ethyl)amino]pyrrolidin-1-yl] 2,2-dimethylpropanoate
SMILESCCN(Cc1ccccc1)C1CCN(OC(=O)C(C)(C)C)C1
InChIInChI=1S/C18H28N2O2/c1-5-19(13-15-9-7-6-8-10-15)16-11-12-20(14-16)22-17(21)18(2,3)4/h6-10,16H,5,11-14H2,1-4H3
InChIKeyHYRJKGKUSRLKSR-UHFFFAOYSA-N
XLogP3.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[benzyl(ethyl)amino]pyrrolidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [3-[benzyl(ethyl)amino]pyrrolidin-1-yl] 2,2-dimethylpropanoate (CID 174881651) is [3-[benzyl(ethyl)amino]pyrrolidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [3-[benzyl(ethyl)amino]pyrrolidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [3-[benzyl(ethyl)amino]pyrrolidin-1-yl] 2,2-dimethylpropanoate is CCN(Cc1ccccc1)C1CCN(OC(=O)C(C)(C)C)C1.
What is the InChIKey of [3-[benzyl(ethyl)amino]pyrrolidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is HYRJKGKUSRLKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-19(13-15-9-7-6-8-10-15)16-11-12-20(14-16)22-17(21)18(2,3)4/h6-10,16H,5,11-14H2,1-4H3.
What are the key properties of [3-[benzyl(ethyl)amino]pyrrolidin-1-yl] 2,2-dimethylpropanoate?
[3-[benzyl(ethyl)amino]pyrrolidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 304.43 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[benzyl(ethyl)amino]pyrrolidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174881651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).