ethyl (2S)-2-cyclopentylpropanoate

C10H18O2 — CID 155930018

IUPACethyl (2S)-2-cyclopentylpropanoate
SMILESCCOC(=O)[C@@H](C)C1CCCC1
InChIInChI=1S/C10H18O2/c1-3-12-10(11)8(2)9-6-4-5-7-9/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyLBKPYXYGEBHHMY-QMMMGPOBSA-N
MW170.25 g/mol
LogP2.38
Rot. Bonds3

About ethyl (2S)-2-cyclopentylpropanoate

ethyl (2S)-2-cyclopentylpropanoate (PubChem CID 155930018) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is ethyl (2S)-2-cyclopentylpropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-cyclopentylpropanoate
PubChem CID155930018
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Nameethyl (2S)-2-cyclopentylpropanoate
SMILESCCOC(=O)[C@@H](C)C1CCCC1
InChIInChI=1S/C10H18O2/c1-3-12-10(11)8(2)9-6-4-5-7-9/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyLBKPYXYGEBHHMY-QMMMGPOBSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-cyclopentylpropanoate?
The IUPAC name of ethyl (2S)-2-cyclopentylpropanoate (CID 155930018) is ethyl (2S)-2-cyclopentylpropanoate.
What is the SMILES notation for ethyl (2S)-2-cyclopentylpropanoate?
The canonical SMILES for ethyl (2S)-2-cyclopentylpropanoate is CCOC(=O)[C@@H](C)C1CCCC1.
What is the InChIKey of ethyl (2S)-2-cyclopentylpropanoate?
The InChIKey is LBKPYXYGEBHHMY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-12-10(11)8(2)9-6-4-5-7-9/h8-9H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of ethyl (2S)-2-cyclopentylpropanoate?
ethyl (2S)-2-cyclopentylpropanoate has a molecular weight of 170.25 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-cyclopentylpropanoate is sourced from PubChem (CID 155930018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).