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

C8H10O5 — CID 14489539

IUPACcis-(1R,2S)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid
SMILESCOC(=O)[C@H]1CC(=O)C[C@H]1C(=O)O
InChIInChI=1S/C8H10O5/c1-13-8(12)6-3-4(9)2-5(6)7(10)11/h5-6H,2-3H2,1H3,(H,10,11)/t5-,6+/m1/s1
InChIKeySOSNFEHKRDJYIS-RITPCOANSA-N
MW186.16 g/mol
LogP-0.16
Rot. Bonds2

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

cis-(1R,2S)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid (PubChem CID 14489539) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is cis-(1R,2S)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid
PubChem CID14489539
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Namecis-(1R,2S)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid
SMILESCOC(=O)[C@H]1CC(=O)C[C@H]1C(=O)O
InChIInChI=1S/C8H10O5/c1-13-8(12)6-3-4(9)2-5(6)7(10)11/h5-6H,2-3H2,1H3,(H,10,11)/t5-,6+/m1/s1
InChIKeySOSNFEHKRDJYIS-RITPCOANSA-N
XLogP-0.16
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid (CID 14489539) is cis-(1R,2S)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid is COC(=O)[C@H]1CC(=O)C[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid?
The InChIKey is SOSNFEHKRDJYIS-RITPCOANSA-N. The full InChI is InChI=1S/C8H10O5/c1-13-8(12)6-3-4(9)2-5(6)7(10)11/h5-6H,2-3H2,1H3,(H,10,11)/t5-,6+/m1/s1.
What are the key properties of cis-(1R,2S)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid?
cis-(1R,2S)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid has a molecular weight of 186.16 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid is sourced from PubChem (CID 14489539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).