ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate

C13H26N2O2 — CID 62011437

IUPACethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
SMILESCCOC(=O)CCN(C)CCCN1CCCC1
InChIInChI=1S/C13H26N2O2/c1-3-17-13(16)7-12-14(2)8-6-11-15-9-4-5-10-15/h3-12H2,1-2H3
InChIKeyOTTYMMNISFCDDT-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.36
Rot. Bonds8

About ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate

ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate (PubChem CID 62011437) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
PubChem CID62011437
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
SMILESCCOC(=O)CCN(C)CCCN1CCCC1
InChIInChI=1S/C13H26N2O2/c1-3-17-13(16)7-12-14(2)8-6-11-15-9-4-5-10-15/h3-12H2,1-2H3
InChIKeyOTTYMMNISFCDDT-UHFFFAOYSA-N
XLogP1.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 7-morpholin-4-ylheptanoate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate?
The IUPAC name of ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate (CID 62011437) is ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate?
The canonical SMILES for ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate is CCOC(=O)CCN(C)CCCN1CCCC1.
What is the InChIKey of ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate?
The InChIKey is OTTYMMNISFCDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-17-13(16)7-12-14(2)8-6-11-15-9-4-5-10-15/h3-12H2,1-2H3.
What are the key properties of ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate?
ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate has a molecular weight of 242.36 g/mol, XLogP of 1.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate is sourced from PubChem (CID 62011437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).