cis-(1S,2R)-1-ethyl-2-methyl-4-oxocyclopentane-1-carboxylic acid

C9H14O3 — CID 141383263

IUPACcis-(1S,2R)-1-ethyl-2-methyl-4-oxocyclopentane-1-carboxylic acid
SMILESCC[C@]1(C(=O)O)CC(=O)C[C@H]1C
InChIInChI=1S/C9H14O3/c1-3-9(8(11)12)5-7(10)4-6(9)2/h6H,3-5H2,1-2H3,(H,11,12)/t6-,9+/m1/s1
InChIKeyAFAMXZCHCRCQFS-MUWHJKNJSA-N
MW170.21 g/mol
LogP1.47
Rot. Bonds2

About cis-(1S,2R)-1-ethyl-2-methyl-4-oxocyclopentane-1-carboxylic acid

cis-(1S,2R)-1-ethyl-2-methyl-4-oxocyclopentane-1-carboxylic acid (PubChem CID 141383263) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is cis-(1S,2R)-1-ethyl-2-methyl-4-oxocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-1-ethyl-2-methyl-4-oxocyclopentane-1-carboxylic acid
PubChem CID141383263
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namecis-(1S,2R)-1-ethyl-2-methyl-4-oxocyclopentane-1-carboxylic acid
SMILESCC[C@]1(C(=O)O)CC(=O)C[C@H]1C
InChIInChI=1S/C9H14O3/c1-3-9(8(11)12)5-7(10)4-6(9)2/h6H,3-5H2,1-2H3,(H,11,12)/t6-,9+/m1/s1
InChIKeyAFAMXZCHCRCQFS-MUWHJKNJSA-N
XLogP1.47
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-ethyl-2-methyl-4-oxocyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-1-ethyl-2-methyl-4-oxocyclopentane-1-carboxylic acid (CID 141383263) is cis-(1S,2R)-1-ethyl-2-methyl-4-oxocyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-1-ethyl-2-methyl-4-oxocyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-1-ethyl-2-methyl-4-oxocyclopentane-1-carboxylic acid is CC[C@]1(C(=O)O)CC(=O)C[C@H]1C.
What is the InChIKey of cis-(1S,2R)-1-ethyl-2-methyl-4-oxocyclopentane-1-carboxylic acid?
The InChIKey is AFAMXZCHCRCQFS-MUWHJKNJSA-N. The full InChI is InChI=1S/C9H14O3/c1-3-9(8(11)12)5-7(10)4-6(9)2/h6H,3-5H2,1-2H3,(H,11,12)/t6-,9+/m1/s1.
What are the key properties of cis-(1S,2R)-1-ethyl-2-methyl-4-oxocyclopentane-1-carboxylic acid?
cis-(1S,2R)-1-ethyl-2-methyl-4-oxocyclopentane-1-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-ethyl-2-methyl-4-oxocyclopentane-1-carboxylic acid is sourced from PubChem (CID 141383263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).