cis-ethyl (1R,2S)-2-hydroxycyclopentane-1-carboxylate

C8H14O3 — CID 2724648

IUPACcis-ethyl (1R,2S)-2-hydroxycyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCC[C@@H]1O
InChIInChI=1S/C8H14O3/c1-2-11-8(10)6-4-3-5-7(6)9/h6-7,9H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyIIFIGGNBUOZGAB-RQJHMYQMSA-N
MW158.20 g/mol
LogP0.71
Rot. Bonds2

About cis-ethyl (1R,2S)-2-hydroxycyclopentane-1-carboxylate

cis-ethyl (1R,2S)-2-hydroxycyclopentane-1-carboxylate (PubChem CID 2724648) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is cis-ethyl (1R,2S)-2-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2S)-2-hydroxycyclopentane-1-carboxylate
PubChem CID2724648
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namecis-ethyl (1R,2S)-2-hydroxycyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCC[C@@H]1O
InChIInChI=1S/C8H14O3/c1-2-11-8(10)6-4-3-5-7(6)9/h6-7,9H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyIIFIGGNBUOZGAB-RQJHMYQMSA-N
XLogP0.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2S)-2-hydroxycyclopentane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2S)-2-hydroxycyclopentane-1-carboxylate (CID 2724648) is cis-ethyl (1R,2S)-2-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2S)-2-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2S)-2-hydroxycyclopentane-1-carboxylate is CCOC(=O)[C@@H]1CCC[C@@H]1O.
What is the InChIKey of cis-ethyl (1R,2S)-2-hydroxycyclopentane-1-carboxylate?
The InChIKey is IIFIGGNBUOZGAB-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-11-8(10)6-4-3-5-7(6)9/h6-7,9H,2-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of cis-ethyl (1R,2S)-2-hydroxycyclopentane-1-carboxylate?
cis-ethyl (1R,2S)-2-hydroxycyclopentane-1-carboxylate has a molecular weight of 158.20 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2S)-2-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 2724648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).