(1R,4S)-bicyclo[2.1.0]pentane-5-carboxylic acid

C6H8O2 — CID 55300069

IUPAC(1R,4S)-bicyclo[2.1.0]pentane-5-carboxylic acid
SMILESO=C(O)C1[C@H]2CC[C@@H]12
InChIInChI=1S/C6H8O2/c7-6(8)5-3-1-2-4(3)5/h3-5H,1-2H2,(H,7,8)/t3-,4+,5?
InChIKeyLGOIBBWJYJOSHI-NGQZWQHPSA-N
MW112.13 g/mol
LogP0.73
Rot. Bonds1

About (1R,4S)-bicyclo[2.1.0]pentane-5-carboxylic acid

(1R,4S)-bicyclo[2.1.0]pentane-5-carboxylic acid (PubChem CID 55300069) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is (1R,4S)-bicyclo[2.1.0]pentane-5-carboxylic acid.

Molecular Properties

Compound Name(1R,4S)-bicyclo[2.1.0]pentane-5-carboxylic acid
PubChem CID55300069
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name(1R,4S)-bicyclo[2.1.0]pentane-5-carboxylic acid
SMILESO=C(O)C1[C@H]2CC[C@@H]12
InChIInChI=1S/C6H8O2/c7-6(8)5-3-1-2-4(3)5/h3-5H,1-2H2,(H,7,8)/t3-,4+,5?
InChIKeyLGOIBBWJYJOSHI-NGQZWQHPSA-N
XLogP0.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-bicyclo[2.1.0]pentane-5-carboxylic acid?
The IUPAC name of (1R,4S)-bicyclo[2.1.0]pentane-5-carboxylic acid (CID 55300069) is (1R,4S)-bicyclo[2.1.0]pentane-5-carboxylic acid.
What is the SMILES notation for (1R,4S)-bicyclo[2.1.0]pentane-5-carboxylic acid?
The canonical SMILES for (1R,4S)-bicyclo[2.1.0]pentane-5-carboxylic acid is O=C(O)C1[C@H]2CC[C@@H]12.
What is the InChIKey of (1R,4S)-bicyclo[2.1.0]pentane-5-carboxylic acid?
The InChIKey is LGOIBBWJYJOSHI-NGQZWQHPSA-N. The full InChI is InChI=1S/C6H8O2/c7-6(8)5-3-1-2-4(3)5/h3-5H,1-2H2,(H,7,8)/t3-,4+,5?.
What are the key properties of (1R,4S)-bicyclo[2.1.0]pentane-5-carboxylic acid?
(1R,4S)-bicyclo[2.1.0]pentane-5-carboxylic acid has a molecular weight of 112.13 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-bicyclo[2.1.0]pentane-5-carboxylic acid is sourced from PubChem (CID 55300069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).