ethyl 2-[(2-cyanocyclopentyl)amino]propanoate

C11H18N2O2 — CID 62741707

IUPACethyl 2-[(2-cyanocyclopentyl)amino]propanoate
SMILESCCOC(=O)C(C)NC1CCCC1C#N
InChIInChI=1S/C11H18N2O2/c1-3-15-11(14)8(2)13-10-6-4-5-9(10)7-12/h8-10,13H,3-6H2,1-2H3
InChIKeyYCRAIIWDCQHEJD-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.22
Rot. Bonds4

About ethyl 2-[(2-cyanocyclopentyl)amino]propanoate

ethyl 2-[(2-cyanocyclopentyl)amino]propanoate (PubChem CID 62741707) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is ethyl 2-[(2-cyanocyclopentyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2-cyanocyclopentyl)amino]propanoate
PubChem CID62741707
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameethyl 2-[(2-cyanocyclopentyl)amino]propanoate
SMILESCCOC(=O)C(C)NC1CCCC1C#N
InChIInChI=1S/C11H18N2O2/c1-3-15-11(14)8(2)13-10-6-4-5-9(10)7-12/h8-10,13H,3-6H2,1-2H3
InChIKeyYCRAIIWDCQHEJD-UHFFFAOYSA-N
XLogP1.22
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-cyanocyclopentyl)amino]propanoate?
The IUPAC name of ethyl 2-[(2-cyanocyclopentyl)amino]propanoate (CID 62741707) is ethyl 2-[(2-cyanocyclopentyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(2-cyanocyclopentyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(2-cyanocyclopentyl)amino]propanoate is CCOC(=O)C(C)NC1CCCC1C#N.
What is the InChIKey of ethyl 2-[(2-cyanocyclopentyl)amino]propanoate?
The InChIKey is YCRAIIWDCQHEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-15-11(14)8(2)13-10-6-4-5-9(10)7-12/h8-10,13H,3-6H2,1-2H3.
What are the key properties of ethyl 2-[(2-cyanocyclopentyl)amino]propanoate?
ethyl 2-[(2-cyanocyclopentyl)amino]propanoate has a molecular weight of 210.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-cyanocyclopentyl)amino]propanoate is sourced from PubChem (CID 62741707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).