(6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid

C7H8O3 — CID 66902185

IUPAC(6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid
SMILESO=C1CCC2C1[C@H]2C(=O)O
InChIInChI=1S/C7H8O3/c8-4-2-1-3-5(4)6(3)7(9)10/h3,5-6H,1-2H2,(H,9,10)/t3?,5?,6-/m0/s1
InChIKeyJUIOQBDYJXJVSZ-ARBLCAATSA-N
MW140.14 g/mol
LogP0.30
Rot. Bonds1

About (6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid

(6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 66902185) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is (6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

Compound Name(6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid
PubChem CID66902185
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name(6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid
SMILESO=C1CCC2C1[C@H]2C(=O)O
InChIInChI=1S/C7H8O3/c8-4-2-1-3-5(4)6(3)7(9)10/h3,5-6H,1-2H2,(H,9,10)/t3?,5?,6-/m0/s1
InChIKeyJUIOQBDYJXJVSZ-ARBLCAATSA-N
XLogP0.30
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid?
The IUPAC name of (6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid (CID 66902185) is (6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid.
What is the SMILES notation for (6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid?
The canonical SMILES for (6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid is O=C1CCC2C1[C@H]2C(=O)O.
What is the InChIKey of (6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid?
The InChIKey is JUIOQBDYJXJVSZ-ARBLCAATSA-N. The full InChI is InChI=1S/C7H8O3/c8-4-2-1-3-5(4)6(3)7(9)10/h3,5-6H,1-2H2,(H,9,10)/t3?,5?,6-/m0/s1.
What are the key properties of (6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid?
(6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 140.14 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 66902185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).