ethyl 2-cyano-5-cyclopentyl-4-hydroxypentanoate

C13H21NO3 — CID 103159567

IUPACethyl 2-cyano-5-cyclopentyl-4-hydroxypentanoate
SMILESCCOC(=O)C(C#N)CC(O)CC1CCCC1
InChIInChI=1S/C13H21NO3/c1-2-17-13(16)11(9-14)8-12(15)7-10-5-3-4-6-10/h10-12,15H,2-8H2,1H3
InChIKeyRLWUPOFSRMEPOC-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.02
Rot. Bonds6

About ethyl 2-cyano-5-cyclopentyl-4-hydroxypentanoate

ethyl 2-cyano-5-cyclopentyl-4-hydroxypentanoate (PubChem CID 103159567) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is ethyl 2-cyano-5-cyclopentyl-4-hydroxypentanoate.

Molecular Properties

Compound Nameethyl 2-cyano-5-cyclopentyl-4-hydroxypentanoate
PubChem CID103159567
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nameethyl 2-cyano-5-cyclopentyl-4-hydroxypentanoate
SMILESCCOC(=O)C(C#N)CC(O)CC1CCCC1
InChIInChI=1S/C13H21NO3/c1-2-17-13(16)11(9-14)8-12(15)7-10-5-3-4-6-10/h10-12,15H,2-8H2,1H3
InChIKeyRLWUPOFSRMEPOC-UHFFFAOYSA-N
XLogP2.02
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-5-cyclopentyl-4-hydroxypentanoate?
The IUPAC name of ethyl 2-cyano-5-cyclopentyl-4-hydroxypentanoate (CID 103159567) is ethyl 2-cyano-5-cyclopentyl-4-hydroxypentanoate.
What is the SMILES notation for ethyl 2-cyano-5-cyclopentyl-4-hydroxypentanoate?
The canonical SMILES for ethyl 2-cyano-5-cyclopentyl-4-hydroxypentanoate is CCOC(=O)C(C#N)CC(O)CC1CCCC1.
What is the InChIKey of ethyl 2-cyano-5-cyclopentyl-4-hydroxypentanoate?
The InChIKey is RLWUPOFSRMEPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-17-13(16)11(9-14)8-12(15)7-10-5-3-4-6-10/h10-12,15H,2-8H2,1H3.
What are the key properties of ethyl 2-cyano-5-cyclopentyl-4-hydroxypentanoate?
ethyl 2-cyano-5-cyclopentyl-4-hydroxypentanoate has a molecular weight of 239.31 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-5-cyclopentyl-4-hydroxypentanoate is sourced from PubChem (CID 103159567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).