2-(dimethylamino)ethyl 3-pyrrolidin-1-ylpropanoate

C11H22N2O2 — CID 131853117

IUPAC2-(dimethylamino)ethyl 3-pyrrolidin-1-ylpropanoate
SMILESCN(C)CCOC(=O)CCN1CCCC1
InChIInChI=1S/C11H22N2O2/c1-12(2)9-10-15-11(14)5-8-13-6-3-4-7-13/h3-10H2,1-2H3
InChIKeyXFJQBJAVPCMNAX-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.58
Rot. Bonds6

About 2-(dimethylamino)ethyl 3-pyrrolidin-1-ylpropanoate

2-(dimethylamino)ethyl 3-pyrrolidin-1-ylpropanoate (PubChem CID 131853117) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 3-pyrrolidin-1-ylpropanoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 3-pyrrolidin-1-ylpropanoate
PubChem CID131853117
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-(dimethylamino)ethyl 3-pyrrolidin-1-ylpropanoate
SMILESCN(C)CCOC(=O)CCN1CCCC1
InChIInChI=1S/C11H22N2O2/c1-12(2)9-10-15-11(14)5-8-13-6-3-4-7-13/h3-10H2,1-2H3
InChIKeyXFJQBJAVPCMNAX-UHFFFAOYSA-N
XLogP0.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)ethyl 3-morpholin-4-ylpropanoate
CID 21449218
bis(2-piperidin-1-ylethyl) butanedioate
CID 71369193
dodecyl 3-piperidin-1-ylpropanoate
CID 91554899
ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
CID 62011437
2-(dimethylamino)ethyl 4-oxopentanoate
CID 21027209
methyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate
CID 62010889
2-[1-[4-(dimethylamino)phenyl]ethenoxy]ethyl 3-piperidin-1-ylpropanoate
CID 89038552
methyl 3-piperidin-1-ylpropanoate;hydrochloride
CID 22077061
butyl 3-(aziridin-1-yl)propanoate;methane
CID 160985577
2-[2-[3-(4-methylpiperazin-1-yl)propanoyloxy]ethoxy]ethyl 3-(4-methylpiperazin-1-yl)propanoate
CID 59193459
2-piperidin-1-ylethyl hexanoate
CID 59204070
1,6-dipyrrolidin-1-ylhexane-3,4-dione
CID 3628395

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 3-pyrrolidin-1-ylpropanoate?
The IUPAC name of 2-(dimethylamino)ethyl 3-pyrrolidin-1-ylpropanoate (CID 131853117) is 2-(dimethylamino)ethyl 3-pyrrolidin-1-ylpropanoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 3-pyrrolidin-1-ylpropanoate?
The canonical SMILES for 2-(dimethylamino)ethyl 3-pyrrolidin-1-ylpropanoate is CN(C)CCOC(=O)CCN1CCCC1.
What is the InChIKey of 2-(dimethylamino)ethyl 3-pyrrolidin-1-ylpropanoate?
The InChIKey is XFJQBJAVPCMNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-12(2)9-10-15-11(14)5-8-13-6-3-4-7-13/h3-10H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 3-pyrrolidin-1-ylpropanoate?
2-(dimethylamino)ethyl 3-pyrrolidin-1-ylpropanoate has a molecular weight of 214.31 g/mol, XLogP of 0.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 3-pyrrolidin-1-ylpropanoate is sourced from PubChem (CID 131853117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).