trans-methyl (1S,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylate

C9H16O3 — CID 99996868

IUPACtrans-methyl (1S,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylate
SMILESCC[C@]1(C(=O)OC)CC[C@@H](O)C1
InChIInChI=1S/C9H16O3/c1-3-9(8(11)12-2)5-4-7(10)6-9/h7,10H,3-6H2,1-2H3/t7-,9+/m1/s1
InChIKeyNARJIYZRDREWCJ-APPZFPTMSA-N
MW172.22 g/mol
LogP1.10
Rot. Bonds2

About trans-methyl (1S,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylate

trans-methyl (1S,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylate (PubChem CID 99996868) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is trans-methyl (1S,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1S,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylate
PubChem CID99996868
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Nametrans-methyl (1S,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylate
SMILESCC[C@]1(C(=O)OC)CC[C@@H](O)C1
InChIInChI=1S/C9H16O3/c1-3-9(8(11)12-2)5-4-7(10)6-9/h7,10H,3-6H2,1-2H3/t7-,9+/m1/s1
InChIKeyNARJIYZRDREWCJ-APPZFPTMSA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-hydroxy-1-propylcyclopentane-1-carboxylate
CID 67858041
cis-(1R,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylic acid
CID 99996887
ethyl 1-ethyl-4-hydroxycyclohexane-1-carboxylate
CID 58597127
trans-methyl (1S,3R)-3-hydroxy-1-methylcyclopentane-1-carboxylate
CID 99866879
methyl (4E,6S)-1-ethyl-6-hydroxycyclooct-4-ene-1-carboxylate
CID 159364636
trans-(1S,3R)-1-ethyl-3-hydroxycyclohexane-1-carboxylic acid
CID 155226353
1-ethyl-3-hydroxycyclohexane-1-carboxylic acid
CID 172797818
methyl 4-tert-butyl-1-(hydroxymethyl)cyclohexane-1-carboxylate
CID 118380454
methyl 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxylate
CID 59152214
methyl 1-ethyl-3-oxocyclohexane-1-carboxylate
CID 19899040
methyl (1S)-1-ethyl-3-oxocyclohexane-1-carboxylate
CID 102477472
methyl 1-propylcyclobutane-1-carboxylate
CID 69380883

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1S,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylate?
The IUPAC name of trans-methyl (1S,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylate (CID 99996868) is trans-methyl (1S,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for trans-methyl (1S,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for trans-methyl (1S,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylate is CC[C@]1(C(=O)OC)CC[C@@H](O)C1.
What is the InChIKey of trans-methyl (1S,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylate?
The InChIKey is NARJIYZRDREWCJ-APPZFPTMSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-9(8(11)12-2)5-4-7(10)6-9/h7,10H,3-6H2,1-2H3/t7-,9+/m1/s1.
What are the key properties of trans-methyl (1S,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylate?
trans-methyl (1S,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylate has a molecular weight of 172.22 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1S,3R)-1-ethyl-3-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 99996868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).