2-oxalocyclopentane-1-carboxylic acid

C8H10O5 — CID 146361986

IUPAC2-oxalocyclopentane-1-carboxylic acid
SMILESO=C(O)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C8H10O5/c9-6(8(12)13)4-2-1-3-5(4)7(10)11/h4-5H,1-3H2,(H,10,11)(H,12,13)
InChIKeyHWLNOMCWZUAARK-UHFFFAOYSA-N
MW186.16 g/mol
LogP0.14
Rot. Bonds3

About 2-oxalocyclopentane-1-carboxylic acid

2-oxalocyclopentane-1-carboxylic acid (PubChem CID 146361986) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is 2-oxalocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-oxalocyclopentane-1-carboxylic acid
PubChem CID146361986
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name2-oxalocyclopentane-1-carboxylic acid
SMILESO=C(O)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C8H10O5/c9-6(8(12)13)4-2-1-3-5(4)7(10)11/h4-5H,1-3H2,(H,10,11)(H,12,13)
InChIKeyHWLNOMCWZUAARK-UHFFFAOYSA-N
XLogP0.14
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
trans-(1S,2S)-2-acetylcyclopentane-1-carboxylic acid
CID 98774560
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
calcium;cis-(1S,2R)-cyclohexane-1,2-dicarboxylic acid;hydride;hydrate
CID 175099769
acetic acid;cyclohexane-1,2-dicarboxylic acid
CID 66603349
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-dicarboxylic acid
CID 15748739
(1S)-2-acetylcyclohexane-1-carboxylic acid
CID 126517131
2-[1-(2-carboxycyclohexyl)ethenyl]cyclohexane-1-carboxylic acid
CID 177009051
trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 56971751
(1R,2R,6S)-bicyclo[4.1.0]heptane-2-carboxylic acid
CID 14143356
2-(2-chloroacetyl)cyclohexane-1-carboxylic acid
CID 118009031
bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride
CID 2725066

Frequently Asked Questions

What is the IUPAC name of 2-oxalocyclopentane-1-carboxylic acid?
The IUPAC name of 2-oxalocyclopentane-1-carboxylic acid (CID 146361986) is 2-oxalocyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-oxalocyclopentane-1-carboxylic acid?
The canonical SMILES for 2-oxalocyclopentane-1-carboxylic acid is O=C(O)C(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-oxalocyclopentane-1-carboxylic acid?
The InChIKey is HWLNOMCWZUAARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5/c9-6(8(12)13)4-2-1-3-5(4)7(10)11/h4-5H,1-3H2,(H,10,11)(H,12,13).
What are the key properties of 2-oxalocyclopentane-1-carboxylic acid?
2-oxalocyclopentane-1-carboxylic acid has a molecular weight of 186.16 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxalocyclopentane-1-carboxylic acid is sourced from PubChem (CID 146361986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).