ethyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanoate

C13H26N2O2 — CID 63318117

IUPACethyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanoate
SMILESCCOC(=O)C(C)NCCN(C)C1CCCC1
InChIInChI=1S/C13H26N2O2/c1-4-17-13(16)11(2)14-9-10-15(3)12-7-5-6-8-12/h11-12,14H,4-10H2,1-3H3
InChIKeyFQDLOONSCAROTF-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds7

About ethyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanoate

ethyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanoate (PubChem CID 63318117) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanoate
PubChem CID63318117
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanoate
SMILESCCOC(=O)C(C)NCCN(C)C1CCCC1
InChIInChI=1S/C13H26N2O2/c1-4-17-13(16)11(2)14-9-10-15(3)12-7-5-6-8-12/h11-12,14H,4-10H2,1-3H3
InChIKeyFQDLOONSCAROTF-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanoate?
The IUPAC name of ethyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanoate (CID 63318117) is ethyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanoate.
What is the SMILES notation for ethyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanoate?
The canonical SMILES for ethyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanoate is CCOC(=O)C(C)NCCN(C)C1CCCC1.
What is the InChIKey of ethyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanoate?
The InChIKey is FQDLOONSCAROTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-17-13(16)11(2)14-9-10-15(3)12-7-5-6-8-12/h11-12,14H,4-10H2,1-3H3.
What are the key properties of ethyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanoate?
ethyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanoate has a molecular weight of 242.36 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanoate is sourced from PubChem (CID 63318117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).