(3R)-3-(1,3-benzodioxol-5-yloxy)butanoic acid

C11H12O5 — CID 93105125

IUPAC(3R)-3-(1,3-benzodioxol-5-yloxy)butanoic acid
SMILESC[C@H](CC(=O)O)Oc1ccc2c(c1)OCO2
InChIInChI=1S/C11H12O5/c1-7(4-11(12)13)16-8-2-3-9-10(5-8)15-6-14-9/h2-3,5,7H,4,6H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyXLCIARLMVURSKS-SSDOTTSWSA-N
MW224.21 g/mol
LogP1.66
Rot. Bonds4

About (3R)-3-(1,3-benzodioxol-5-yloxy)butanoic acid

(3R)-3-(1,3-benzodioxol-5-yloxy)butanoic acid (PubChem CID 93105125) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is (3R)-3-(1,3-benzodioxol-5-yloxy)butanoic acid.

Molecular Properties

Compound Name(3R)-3-(1,3-benzodioxol-5-yloxy)butanoic acid
PubChem CID93105125
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name(3R)-3-(1,3-benzodioxol-5-yloxy)butanoic acid
SMILESC[C@H](CC(=O)O)Oc1ccc2c(c1)OCO2
InChIInChI=1S/C11H12O5/c1-7(4-11(12)13)16-8-2-3-9-10(5-8)15-6-14-9/h2-3,5,7H,4,6H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyXLCIARLMVURSKS-SSDOTTSWSA-N
XLogP1.66
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-(1,3-benzodioxol-5-yloxy)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3-benzodioxol-5-yloxy)pentanoic acid
CID 114990501
2-(1,3-benzodioxol-5-yloxy)propan-1-amine
CID 22688832
(3S)-3-[(3-oxo-1-benzofuran-6-yl)oxy]butanoic acid
CID 103547942
(3S)-3-(1,3-benzodioxol-5-yloxy)butan-2-one
CID 6934005
3-(1,3-benzodioxol-5-yl)butanoic acid
CID 43211318
methyl 2-(1,3-benzodioxol-5-yloxy)propanoate
CID 4507465
2-(1,3-benzodioxol-5-yloxy)-N,N-diethylpropanamide
CID 45147826
2-(1,3-benzodioxol-5-yloxy)butanamide
CID 62901253
1,3-benzodioxol-5-yl (2R)-2-phenoxypropanoate
CID 8766447
4-(1,3-benzodioxol-5-yloxy)-N-propan-2-ylpentan-1-amine
CID 62451797
(3S)-3-(4-chloro-3-ethylphenoxy)butanoic acid
CID 103547866
3-(1,3-benzodioxol-5-yl)-3-(dimethylamino)propanoic acid
CID 64528353

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1,3-benzodioxol-5-yloxy)butanoic acid?
The IUPAC name of (3R)-3-(1,3-benzodioxol-5-yloxy)butanoic acid (CID 93105125) is (3R)-3-(1,3-benzodioxol-5-yloxy)butanoic acid.
What is the SMILES notation for (3R)-3-(1,3-benzodioxol-5-yloxy)butanoic acid?
The canonical SMILES for (3R)-3-(1,3-benzodioxol-5-yloxy)butanoic acid is C[C@H](CC(=O)O)Oc1ccc2c(c1)OCO2.
What is the InChIKey of (3R)-3-(1,3-benzodioxol-5-yloxy)butanoic acid?
The InChIKey is XLCIARLMVURSKS-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12O5/c1-7(4-11(12)13)16-8-2-3-9-10(5-8)15-6-14-9/h2-3,5,7H,4,6H2,1H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (3R)-3-(1,3-benzodioxol-5-yloxy)butanoic acid?
(3R)-3-(1,3-benzodioxol-5-yloxy)butanoic acid has a molecular weight of 224.21 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1,3-benzodioxol-5-yloxy)butanoic acid is sourced from PubChem (CID 93105125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).