2-(3-oxabicyclo[3.1.0]hexan-6-yl)propanoic acid

C8H12O3 — CID 76809360

IUPAC2-(3-oxabicyclo[3.1.0]hexan-6-yl)propanoic acid
SMILESCC(C(=O)O)C1C2COCC21
InChIInChI=1S/C8H12O3/c1-4(8(9)10)7-5-2-11-3-6(5)7/h4-7H,2-3H2,1H3,(H,9,10)
InChIKeyNUVDIEQUCAZGBM-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.60
Rot. Bonds2

About 2-(3-oxabicyclo[3.1.0]hexan-6-yl)propanoic acid

2-(3-oxabicyclo[3.1.0]hexan-6-yl)propanoic acid (PubChem CID 76809360) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-(3-oxabicyclo[3.1.0]hexan-6-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-oxabicyclo[3.1.0]hexan-6-yl)propanoic acid
PubChem CID76809360
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-(3-oxabicyclo[3.1.0]hexan-6-yl)propanoic acid
SMILESCC(C(=O)O)C1C2COCC21
InChIInChI=1S/C8H12O3/c1-4(8(9)10)7-5-2-11-3-6(5)7/h4-7H,2-3H2,1H3,(H,9,10)
InChIKeyNUVDIEQUCAZGBM-UHFFFAOYSA-N
XLogP0.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxabicyclo[3.1.0]hexan-6-yl)propanoic acid?
The IUPAC name of 2-(3-oxabicyclo[3.1.0]hexan-6-yl)propanoic acid (CID 76809360) is 2-(3-oxabicyclo[3.1.0]hexan-6-yl)propanoic acid.
What is the SMILES notation for 2-(3-oxabicyclo[3.1.0]hexan-6-yl)propanoic acid?
The canonical SMILES for 2-(3-oxabicyclo[3.1.0]hexan-6-yl)propanoic acid is CC(C(=O)O)C1C2COCC21.
What is the InChIKey of 2-(3-oxabicyclo[3.1.0]hexan-6-yl)propanoic acid?
The InChIKey is NUVDIEQUCAZGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-4(8(9)10)7-5-2-11-3-6(5)7/h4-7H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-(3-oxabicyclo[3.1.0]hexan-6-yl)propanoic acid?
2-(3-oxabicyclo[3.1.0]hexan-6-yl)propanoic acid has a molecular weight of 156.18 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxabicyclo[3.1.0]hexan-6-yl)propanoic acid is sourced from PubChem (CID 76809360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).