cis-(1R,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylic acid

C8H14O3 — CID 99996887

IUPACcis-(1R,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylic acid
SMILESCC[C@@]1(C(=O)O)CC[C@@H](O)C1
InChIInChI=1S/C8H14O3/c1-2-8(7(10)11)4-3-6(9)5-8/h6,9H,2-5H2,1H3,(H,10,11)/t6-,8-/m1/s1
InChIKeySBMTXRXBLQYNGY-HTRCEHHLSA-N
MW158.20 g/mol
LogP1.01
Rot. Bonds2

About cis-(1R,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylic acid

cis-(1R,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylic acid (PubChem CID 99996887) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is cis-(1R,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylic acid
PubChem CID99996887
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namecis-(1R,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylic acid
SMILESCC[C@@]1(C(=O)O)CC[C@@H](O)C1
InChIInChI=1S/C8H14O3/c1-2-8(7(10)11)4-3-6(9)5-8/h6,9H,2-5H2,1H3,(H,10,11)/t6-,8-/m1/s1
InChIKeySBMTXRXBLQYNGY-HTRCEHHLSA-N
XLogP1.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,3R)-1-ethyl-3-hydroxycyclohexane-1-carboxylic acid
CID 155226353
1-ethyl-3-hydroxycyclohexane-1-carboxylic acid
CID 172797818
trans-methyl (1S,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylate
CID 99996868
methyl 3-hydroxy-1-propylcyclopentane-1-carboxylate
CID 67858041
1-ethyl-4-methylcycloheptane-1-carboxylic acid
CID 89094333
ethyl 1-ethyl-4-hydroxycyclohexane-1-carboxylate
CID 58597127
cis-(1S,3S)-3-hydroxy-1-methylcyclopentane-1-carboxylic acid
CID 66753163
(1R,3R,4R)-1-ethyl-3-hydroxy-4-[(2R)-oxan-2-yl]oxycyclohexane-1-carboxylic acid
CID 141140423
2,5-dihydroxycyclohexane-1,1-dicarboxylic acid
CID 150758409
1-ethenyl-3-hydroxycyclopentane-1-carboxylic acid
CID 130196105
4-hydroxy-1-[(4-methylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 112745348
1-cyclopentyl-4-ethylpiperidine-4-carboxylic acid
CID 63126612

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylic acid (CID 99996887) is cis-(1R,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylic acid is CC[C@@]1(C(=O)O)CC[C@@H](O)C1.
What is the InChIKey of cis-(1R,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylic acid?
The InChIKey is SBMTXRXBLQYNGY-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-8(7(10)11)4-3-6(9)5-8/h6,9H,2-5H2,1H3,(H,10,11)/t6-,8-/m1/s1.
What are the key properties of cis-(1R,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylic acid?
cis-(1R,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylic acid has a molecular weight of 158.20 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 99996887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).