(2R)-2-(1,3-benzodioxol-4-yl)-3-hydroxypropanoic acid

C10H10O5 — CID 57281930

IUPAC(2R)-2-(1,3-benzodioxol-4-yl)-3-hydroxypropanoic acid
SMILESO=C(O)[C@@H](CO)c1cccc2c1OCO2
InChIInChI=1S/C10H10O5/c11-4-7(10(12)13)6-2-1-3-8-9(6)15-5-14-8/h1-3,7,11H,4-5H2,(H,12,13)/t7-/m0/s1
InChIKeyOJQPEBNDEDBSIU-ZETCQYMHSA-N
MW210.18 g/mol
LogP0.58
Rot. Bonds3

About (2R)-2-(1,3-benzodioxol-4-yl)-3-hydroxypropanoic acid

(2R)-2-(1,3-benzodioxol-4-yl)-3-hydroxypropanoic acid (PubChem CID 57281930) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is (2R)-2-(1,3-benzodioxol-4-yl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-(1,3-benzodioxol-4-yl)-3-hydroxypropanoic acid
PubChem CID57281930
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name(2R)-2-(1,3-benzodioxol-4-yl)-3-hydroxypropanoic acid
SMILESO=C(O)[C@@H](CO)c1cccc2c1OCO2
InChIInChI=1S/C10H10O5/c11-4-7(10(12)13)6-2-1-3-8-9(6)15-5-14-8/h1-3,7,11H,4-5H2,(H,12,13)/t7-/m0/s1
InChIKeyOJQPEBNDEDBSIU-ZETCQYMHSA-N
XLogP0.58
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetylsulfanyl-2-(1,3-benzodioxol-4-yl)butanoic acid
CID 158168482
(2S)-2-amino-2-(1,3-benzodioxol-4-yl)ethanol
CID 55277961
(2R)-2-amino-2-(1,3-benzodioxol-4-yl)ethanol
CID 66513528
3-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)propanoic acid
CID 82392056
4-(1,3-benzodioxol-4-yl)-5-methylhexan-2-one
CID 83911896
2-(1,3-benzodioxol-4-yl)octanamide;hydrochloride
CID 139684216
3-(1,3-benzodioxol-4-yl)-2-methylidenepentan-1-amine
CID 67852886
(3R)-3-amino-3-(1,3-benzodioxol-4-yl)-2,2-dimethylpropan-1-ol
CID 131279088
3-(1,3-benzodioxol-4-yl)octanoic acid
CID 54473866
2-(1,3-benzodioxol-4-ylsulfonylamino)propanoic acid
CID 122068088
2-[1-(1,3-benzodioxol-4-yl)ethylamino]ethanol
CID 167758357
2-[1,3-benzodioxol-4-ylsulfonyl(methyl)amino]-3-methylpentanoic acid
CID 154745228

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-benzodioxol-4-yl)-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-(1,3-benzodioxol-4-yl)-3-hydroxypropanoic acid (CID 57281930) is (2R)-2-(1,3-benzodioxol-4-yl)-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-(1,3-benzodioxol-4-yl)-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-(1,3-benzodioxol-4-yl)-3-hydroxypropanoic acid is O=C(O)[C@@H](CO)c1cccc2c1OCO2.
What is the InChIKey of (2R)-2-(1,3-benzodioxol-4-yl)-3-hydroxypropanoic acid?
The InChIKey is OJQPEBNDEDBSIU-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10O5/c11-4-7(10(12)13)6-2-1-3-8-9(6)15-5-14-8/h1-3,7,11H,4-5H2,(H,12,13)/t7-/m0/s1.
What are the key properties of (2R)-2-(1,3-benzodioxol-4-yl)-3-hydroxypropanoic acid?
(2R)-2-(1,3-benzodioxol-4-yl)-3-hydroxypropanoic acid has a molecular weight of 210.18 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-benzodioxol-4-yl)-3-hydroxypropanoic acid is sourced from PubChem (CID 57281930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).