(2R,3R)-2-(2,3-dihydro-1H-inden-1-yloxy)-3-hydroxybutanedioic acid

C13H14O6 — CID 102059267

IUPAC(2R,3R)-2-(2,3-dihydro-1H-inden-1-yloxy)-3-hydroxybutanedioic acid
SMILESO=C(O)[C@H](O)[C@@H](OC1CCc2ccccc21)C(=O)O
InChIInChI=1S/C13H14O6/c14-10(12(15)16)11(13(17)18)19-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-11,14H,5-6H2,(H,15,16)(H,17,18)/t9?,10-,11-/m1/s1
InChIKeyJFCMPHAUOFDDRO-FHZGLPGMSA-N
MW266.25 g/mol
LogP0.59
Rot. Bonds5

About (2R,3R)-2-(2,3-dihydro-1H-inden-1-yloxy)-3-hydroxybutanedioic acid

(2R,3R)-2-(2,3-dihydro-1H-inden-1-yloxy)-3-hydroxybutanedioic acid (PubChem CID 102059267) has the molecular formula C13H14O6 and a molecular weight of 266.25 g/mol. Its IUPAC name is (2R,3R)-2-(2,3-dihydro-1H-inden-1-yloxy)-3-hydroxybutanedioic acid.

Molecular Properties

Compound Name(2R,3R)-2-(2,3-dihydro-1H-inden-1-yloxy)-3-hydroxybutanedioic acid
PubChem CID102059267
Molecular FormulaC13H14O6
Molecular Weight266.25 g/mol
Exact Mass266.08
IUPAC Name(2R,3R)-2-(2,3-dihydro-1H-inden-1-yloxy)-3-hydroxybutanedioic acid
SMILESO=C(O)[C@H](O)[C@@H](OC1CCc2ccccc21)C(=O)O
InChIInChI=1S/C13H14O6/c14-10(12(15)16)11(13(17)18)19-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-11,14H,5-6H2,(H,15,16)(H,17,18)/t9?,10-,11-/m1/s1
InChIKeyJFCMPHAUOFDDRO-FHZGLPGMSA-N
XLogP0.59
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroxybutanedioic acid;(1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 53378885
2,3-dihydro-1H-inden-1-yl 2,2-dimethylpropanoate
CID 10262840
cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)
CID 162540344
2-(2,3-dihydro-1H-inden-1-yloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid
CID 129070332
N-(2,3-dihydro-1H-inden-1-yl)-2-hydroxy-2-phenylacetamide
CID 110882312
2,3-dihydro-1H-inden-1-yl 2-methylbutanoate
CID 59254180
1-(2,3-dihydro-1H-inden-1-yloxymethoxy)-2,3-dihydro-1H-indene
CID 70037925
chloromethyl [(1R)-2,3-dihydro-1H-inden-1-yl] carbonate
CID 121218784
[(1S)-2,3-dihydro-1H-inden-1-yl] 2-[4,7,10-tris[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 101249884
1-pent-4-en-2-yloxy-2,3-dihydro-1H-indene
CID 163573761
(2S)-2-(2,3-dihydro-1H-indene-1-carbonylamino)propanoic acid
CID 119238189
N-(2,3-dihydro-1H-inden-1-yl)-4-(2,3-dihydro-1H-inden-1-ylamino)-4-hydroxybutanamide
CID 134345086

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2,3-dihydro-1H-inden-1-yloxy)-3-hydroxybutanedioic acid?
The IUPAC name of (2R,3R)-2-(2,3-dihydro-1H-inden-1-yloxy)-3-hydroxybutanedioic acid (CID 102059267) is (2R,3R)-2-(2,3-dihydro-1H-inden-1-yloxy)-3-hydroxybutanedioic acid.
What is the SMILES notation for (2R,3R)-2-(2,3-dihydro-1H-inden-1-yloxy)-3-hydroxybutanedioic acid?
The canonical SMILES for (2R,3R)-2-(2,3-dihydro-1H-inden-1-yloxy)-3-hydroxybutanedioic acid is O=C(O)[C@H](O)[C@@H](OC1CCc2ccccc21)C(=O)O.
What is the InChIKey of (2R,3R)-2-(2,3-dihydro-1H-inden-1-yloxy)-3-hydroxybutanedioic acid?
The InChIKey is JFCMPHAUOFDDRO-FHZGLPGMSA-N. The full InChI is InChI=1S/C13H14O6/c14-10(12(15)16)11(13(17)18)19-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-11,14H,5-6H2,(H,15,16)(H,17,18)/t9?,10-,11-/m1/s1.
What are the key properties of (2R,3R)-2-(2,3-dihydro-1H-inden-1-yloxy)-3-hydroxybutanedioic acid?
(2R,3R)-2-(2,3-dihydro-1H-inden-1-yloxy)-3-hydroxybutanedioic acid has a molecular weight of 266.25 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2,3-dihydro-1H-inden-1-yloxy)-3-hydroxybutanedioic acid is sourced from PubChem (CID 102059267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).