cis-(1S,2R)-4-oxocyclopentane-1,2-dicarboxylate

C7H6O5-2 — CID 27443852

IUPACcis-(1S,2R)-4-oxocyclopentane-1,2-dicarboxylate
SMILESO=C1C[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1
InChIInChI=1S/C7H8O5/c8-3-1-4(6(9)10)5(2-3)7(11)12/h4-5H,1-2H2,(H,9,10)(H,11,12)/p-2/t4-,5+
InChIKeyCJSMOECOKYPHSC-SYDPRGILSA-L
MW170.12 g/mol
LogP-2.92
Rot. Bonds2

About cis-(1S,2R)-4-oxocyclopentane-1,2-dicarboxylate

cis-(1S,2R)-4-oxocyclopentane-1,2-dicarboxylate (PubChem CID 27443852) has the molecular formula C7H6O5-2 and a molecular weight of 170.12 g/mol. Its IUPAC name is cis-(1S,2R)-4-oxocyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Namecis-(1S,2R)-4-oxocyclopentane-1,2-dicarboxylate
PubChem CID27443852
Molecular FormulaC7H6O5-2
Molecular Weight170.12 g/mol
Exact Mass170.02
IUPAC Namecis-(1S,2R)-4-oxocyclopentane-1,2-dicarboxylate
SMILESO=C1C[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1
InChIInChI=1S/C7H8O5/c8-3-1-4(6(9)10)5(2-3)7(11)12/h4-5H,1-2H2,(H,9,10)(H,11,12)/p-2/t4-,5+
InChIKeyCJSMOECOKYPHSC-SYDPRGILSA-L
XLogP-2.92
TPSA97.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 5-2.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetyl-4-oxocyclopentane-1-carboxylic acid
CID 123330818
trans-(1R,2R)-2-hydroxy-4-oxocyclopentane-1-carbonyl iodide
CID 163739346
(1R,2S)-4-propan-2-ylcyclohex-4-ene-1,2-dicarboxylate
CID 7392130
4-oxoazetidine-2-carboxylate
CID 22451625
cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate
CID 26967535
sodium cis-(1S,2S)-2-fluorocyclopropane-1-carboxylate
CID 67083304
2-(carboxymethyl)-4-oxocyclopentane-1-carboxylic acid
CID 123668596
trans-(1R,2R)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid
CID 118988969
aluminum;cyclohexane-1,2-dicarboxylate;hydroxide
CID 90236478
2,5-dimethylcyclohexane-1,4-dicarboxylate
CID 21247464
(1S,6S)-6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate
CID 7309859
(2S)-5-oxopyrrolidine-2-carboxylate
CID 5289118

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-4-oxocyclopentane-1,2-dicarboxylate?
The IUPAC name of cis-(1S,2R)-4-oxocyclopentane-1,2-dicarboxylate (CID 27443852) is cis-(1S,2R)-4-oxocyclopentane-1,2-dicarboxylate.
What is the SMILES notation for cis-(1S,2R)-4-oxocyclopentane-1,2-dicarboxylate?
The canonical SMILES for cis-(1S,2R)-4-oxocyclopentane-1,2-dicarboxylate is O=C1C[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1.
What is the InChIKey of cis-(1S,2R)-4-oxocyclopentane-1,2-dicarboxylate?
The InChIKey is CJSMOECOKYPHSC-SYDPRGILSA-L. The full InChI is InChI=1S/C7H8O5/c8-3-1-4(6(9)10)5(2-3)7(11)12/h4-5H,1-2H2,(H,9,10)(H,11,12)/p-2/t4-,5+.
What are the key properties of cis-(1S,2R)-4-oxocyclopentane-1,2-dicarboxylate?
cis-(1S,2R)-4-oxocyclopentane-1,2-dicarboxylate has a molecular weight of 170.12 g/mol, XLogP of -2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-4-oxocyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 27443852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).