bicyclo[3.1.0]hexane;2-oxopropanoic acid

C9H14O3 — CID 174962132

IUPACbicyclo[3.1.0]hexane;2-oxopropanoic acid
SMILESC1CC2CC2C1.CC(=O)C(=O)O
InChIInChI=1S/C6H10.C3H4O3/c1-2-5-4-6(5)3-1;1-2(4)3(5)6/h5-6H,1-4H2;1H3,(H,5,6)
InChIKeyFAIGBTZSQAOJNE-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.47
Rot. Bonds1

About bicyclo[3.1.0]hexane;2-oxopropanoic acid

bicyclo[3.1.0]hexane;2-oxopropanoic acid (PubChem CID 174962132) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is bicyclo[3.1.0]hexane;2-oxopropanoic acid.

Molecular Properties

Compound Namebicyclo[3.1.0]hexane;2-oxopropanoic acid
PubChem CID174962132
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namebicyclo[3.1.0]hexane;2-oxopropanoic acid
SMILESC1CC2CC2C1.CC(=O)C(=O)O
InChIInChI=1S/C6H10.C3H4O3/c1-2-5-4-6(5)3-1;1-2(4)3(5)6/h5-6H,1-4H2;1H3,(H,5,6)
InChIKeyFAIGBTZSQAOJNE-UHFFFAOYSA-N
XLogP1.47
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

Computed Properties (RDKit)

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

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Related Compounds

2-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-oxoacetic acid
CID 164990129
4-[3-(4-carboxycyclohexyl)cyclohexyl]cyclohexane-1-carboxylic acid
CID 22445971
bis(bicyclo[3.1.0]hexane);trihydrochloride
CID 69185190
tricyclo[4.3.1.12,5]undecane
CID 13070377
bicyclo[3.1.0]hexane;dihydrochloride
CID 141306080
manganese(2+);2-oxopropanoic acid
CID 162367990
bicyclo[3.1.0]hexane;3-hydroxybutanoic acid
CID 18408223
acetic acid;cyclohexylcyclohexane
CID 67293698
cycloheptylcycloheptane;2-methylprop-2-enoic acid
CID 22186228
4-cyclobutylbicyclo[6.1.0]nonane
CID 123166023
2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene
CID 123828031
N-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]acetamide
CID 131102398

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexane;2-oxopropanoic acid?
The IUPAC name of bicyclo[3.1.0]hexane;2-oxopropanoic acid (CID 174962132) is bicyclo[3.1.0]hexane;2-oxopropanoic acid.
What is the SMILES notation for bicyclo[3.1.0]hexane;2-oxopropanoic acid?
The canonical SMILES for bicyclo[3.1.0]hexane;2-oxopropanoic acid is C1CC2CC2C1.CC(=O)C(=O)O.
What is the InChIKey of bicyclo[3.1.0]hexane;2-oxopropanoic acid?
The InChIKey is FAIGBTZSQAOJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C3H4O3/c1-2-5-4-6(5)3-1;1-2(4)3(5)6/h5-6H,1-4H2;1H3,(H,5,6).
What are the key properties of bicyclo[3.1.0]hexane;2-oxopropanoic acid?
bicyclo[3.1.0]hexane;2-oxopropanoic acid has a molecular weight of 170.21 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexane;2-oxopropanoic acid is sourced from PubChem (CID 174962132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).