cis-(1S,2R)-1,2-dimethyl-4-oxocyclopentane-1,2-dicarboxylic acid

C9H12O5 — CID 67620806

IUPACcis-(1S,2R)-1,2-dimethyl-4-oxocyclopentane-1,2-dicarboxylic acid
SMILESC[C@@]1(C(=O)O)CC(=O)C[C@]1(C)C(=O)O
InChIInChI=1S/C9H12O5/c1-8(6(11)12)3-5(10)4-9(8,2)7(13)14/h3-4H2,1-2H3,(H,11,12)(H,13,14)/t8-,9+
InChIKeyHCKOATDWXLKZGM-DTORHVGOSA-N
MW200.19 g/mol
LogP0.53
Rot. Bonds2

About cis-(1S,2R)-1,2-dimethyl-4-oxocyclopentane-1,2-dicarboxylic acid

cis-(1S,2R)-1,2-dimethyl-4-oxocyclopentane-1,2-dicarboxylic acid (PubChem CID 67620806) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is cis-(1S,2R)-1,2-dimethyl-4-oxocyclopentane-1,2-dicarboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-1,2-dimethyl-4-oxocyclopentane-1,2-dicarboxylic acid
PubChem CID67620806
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Namecis-(1S,2R)-1,2-dimethyl-4-oxocyclopentane-1,2-dicarboxylic acid
SMILESC[C@@]1(C(=O)O)CC(=O)C[C@]1(C)C(=O)O
InChIInChI=1S/C9H12O5/c1-8(6(11)12)3-5(10)4-9(8,2)7(13)14/h3-4H2,1-2H3,(H,11,12)(H,13,14)/t8-,9+
InChIKeyHCKOATDWXLKZGM-DTORHVGOSA-N
XLogP0.53
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1,2-dimethyl-4-oxocyclopentane-1,2-dicarboxylic acid?
The IUPAC name of cis-(1S,2R)-1,2-dimethyl-4-oxocyclopentane-1,2-dicarboxylic acid (CID 67620806) is cis-(1S,2R)-1,2-dimethyl-4-oxocyclopentane-1,2-dicarboxylic acid.
What is the SMILES notation for cis-(1S,2R)-1,2-dimethyl-4-oxocyclopentane-1,2-dicarboxylic acid?
The canonical SMILES for cis-(1S,2R)-1,2-dimethyl-4-oxocyclopentane-1,2-dicarboxylic acid is C[C@@]1(C(=O)O)CC(=O)C[C@]1(C)C(=O)O.
What is the InChIKey of cis-(1S,2R)-1,2-dimethyl-4-oxocyclopentane-1,2-dicarboxylic acid?
The InChIKey is HCKOATDWXLKZGM-DTORHVGOSA-N. The full InChI is InChI=1S/C9H12O5/c1-8(6(11)12)3-5(10)4-9(8,2)7(13)14/h3-4H2,1-2H3,(H,11,12)(H,13,14)/t8-,9+.
What are the key properties of cis-(1S,2R)-1,2-dimethyl-4-oxocyclopentane-1,2-dicarboxylic acid?
cis-(1S,2R)-1,2-dimethyl-4-oxocyclopentane-1,2-dicarboxylic acid has a molecular weight of 200.19 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1,2-dimethyl-4-oxocyclopentane-1,2-dicarboxylic acid is sourced from PubChem (CID 67620806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).