ethyl 3-(2-pyrrolidin-1-ylethylamino)propanoate

C11H22N2O2 — CID 46318531

IUPACethyl 3-(2-pyrrolidin-1-ylethylamino)propanoate
SMILESCCOC(=O)CCNCCN1CCCC1
InChIInChI=1S/C11H22N2O2/c1-2-15-11(14)5-6-12-7-10-13-8-3-4-9-13/h12H,2-10H2,1H3
InChIKeyFCNSACLGZAQMRS-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds7

About ethyl 3-(2-pyrrolidin-1-ylethylamino)propanoate

ethyl 3-(2-pyrrolidin-1-ylethylamino)propanoate (PubChem CID 46318531) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethyl 3-(2-pyrrolidin-1-ylethylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-pyrrolidin-1-ylethylamino)propanoate
PubChem CID46318531
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethyl 3-(2-pyrrolidin-1-ylethylamino)propanoate
SMILESCCOC(=O)CCNCCN1CCCC1
InChIInChI=1S/C11H22N2O2/c1-2-15-11(14)5-6-12-7-10-13-8-3-4-9-13/h12H,2-10H2,1H3
InChIKeyFCNSACLGZAQMRS-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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ethyl 1-[2-(ethylamino)ethyl]piperidine-4-carboxylate
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2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-pyrrolidin-1-ylethylamino)propanoate?
The IUPAC name of ethyl 3-(2-pyrrolidin-1-ylethylamino)propanoate (CID 46318531) is ethyl 3-(2-pyrrolidin-1-ylethylamino)propanoate.
What is the SMILES notation for ethyl 3-(2-pyrrolidin-1-ylethylamino)propanoate?
The canonical SMILES for ethyl 3-(2-pyrrolidin-1-ylethylamino)propanoate is CCOC(=O)CCNCCN1CCCC1.
What is the InChIKey of ethyl 3-(2-pyrrolidin-1-ylethylamino)propanoate?
The InChIKey is FCNSACLGZAQMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-15-11(14)5-6-12-7-10-13-8-3-4-9-13/h12H,2-10H2,1H3.
What are the key properties of ethyl 3-(2-pyrrolidin-1-ylethylamino)propanoate?
ethyl 3-(2-pyrrolidin-1-ylethylamino)propanoate has a molecular weight of 214.31 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-pyrrolidin-1-ylethylamino)propanoate is sourced from PubChem (CID 46318531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).