ethyl 3-(3-pyrrolidin-1-ylpropoxy)propanoate

C12H23NO3 — CID 167302950

IUPACethyl 3-(3-pyrrolidin-1-ylpropoxy)propanoate
SMILESCCOC(=O)CCOCCCN1CCCC1
InChIInChI=1S/C12H23NO3/c1-2-16-12(14)6-11-15-10-5-9-13-7-3-4-8-13/h2-11H2,1H3
InChIKeyZZLCQHWFWPWDBC-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.44
Rot. Bonds8

About ethyl 3-(3-pyrrolidin-1-ylpropoxy)propanoate

ethyl 3-(3-pyrrolidin-1-ylpropoxy)propanoate (PubChem CID 167302950) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 3-(3-pyrrolidin-1-ylpropoxy)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-pyrrolidin-1-ylpropoxy)propanoate
PubChem CID167302950
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 3-(3-pyrrolidin-1-ylpropoxy)propanoate
SMILESCCOC(=O)CCOCCCN1CCCC1
InChIInChI=1S/C12H23NO3/c1-2-16-12(14)6-11-15-10-5-9-13-7-3-4-8-13/h2-11H2,1H3
InChIKeyZZLCQHWFWPWDBC-UHFFFAOYSA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-pyrrolidin-1-ylpropoxy)propanoate?
The IUPAC name of ethyl 3-(3-pyrrolidin-1-ylpropoxy)propanoate (CID 167302950) is ethyl 3-(3-pyrrolidin-1-ylpropoxy)propanoate.
What is the SMILES notation for ethyl 3-(3-pyrrolidin-1-ylpropoxy)propanoate?
The canonical SMILES for ethyl 3-(3-pyrrolidin-1-ylpropoxy)propanoate is CCOC(=O)CCOCCCN1CCCC1.
What is the InChIKey of ethyl 3-(3-pyrrolidin-1-ylpropoxy)propanoate?
The InChIKey is ZZLCQHWFWPWDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-16-12(14)6-11-15-10-5-9-13-7-3-4-8-13/h2-11H2,1H3.
What are the key properties of ethyl 3-(3-pyrrolidin-1-ylpropoxy)propanoate?
ethyl 3-(3-pyrrolidin-1-ylpropoxy)propanoate has a molecular weight of 229.32 g/mol, XLogP of 1.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-pyrrolidin-1-ylpropoxy)propanoate is sourced from PubChem (CID 167302950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).