ethyl (2S)-2-hydroxycyclopentane-1-carboxylate

C8H14O3 — CID 130360742

IUPACethyl (2S)-2-hydroxycyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC[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-/m0/s1
InChIKeyIIFIGGNBUOZGAB-MLWJPKLSSA-N
MW158.20 g/mol
LogP0.71
Rot. Bonds2

About ethyl (2S)-2-hydroxycyclopentane-1-carboxylate

ethyl (2S)-2-hydroxycyclopentane-1-carboxylate (PubChem CID 130360742) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethyl (2S)-2-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-2-hydroxycyclopentane-1-carboxylate
PubChem CID130360742
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Nameethyl (2S)-2-hydroxycyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC[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-/m0/s1
InChIKeyIIFIGGNBUOZGAB-MLWJPKLSSA-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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Related Compounds

trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate
CID 1268212
ethyl 2-amino-3-hydroxycyclohexane-1-carboxylate
CID 22258605
ethyl 2-methylcyclopentane-1-carboxylate
CID 10844634
ethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate
CID 89296898
cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate
CID 101471525
ethyl 2-aminocyclopentane-1-carboxylate;hydrochloride
CID 22258377
ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate
CID 117046513
trans-ethyl (1S,2S)-2-methylcyclohexane-1-carboxylate
CID 28766550
ethyl 2,3-dichlorocyclohexane-1-carboxylate
CID 174393055
ethyl 2-tert-butylcyclohexane-1-carboxylate
CID 67415687
ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate;hydrochloride
CID 117046512
ethyl (2S)-2-propan-2-ylcyclohexane-1-carboxylate
CID 58682733

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-hydroxycyclopentane-1-carboxylate?
The IUPAC name of ethyl (2S)-2-hydroxycyclopentane-1-carboxylate (CID 130360742) is ethyl (2S)-2-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (2S)-2-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for ethyl (2S)-2-hydroxycyclopentane-1-carboxylate is CCOC(=O)C1CCC[C@@H]1O.
What is the InChIKey of ethyl (2S)-2-hydroxycyclopentane-1-carboxylate?
The InChIKey is IIFIGGNBUOZGAB-MLWJPKLSSA-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-/m0/s1.
What are the key properties of ethyl (2S)-2-hydroxycyclopentane-1-carboxylate?
ethyl (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 ethyl (2S)-2-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 130360742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).