2,4-dihydroxybutanoic acid;3-hydroxybutanoic acid

C8H16O7 — CID 174846249

IUPAC2,4-dihydroxybutanoic acid;3-hydroxybutanoic acid
SMILESCC(O)CC(=O)O.O=C(O)C(O)CCO
InChIInChI=1S/C4H8O4.C4H8O3/c5-2-1-3(6)4(7)8;1-3(5)2-4(6)7/h3,5-6H,1-2H2,(H,7,8);3,5H,2H2,1H3,(H,6,7)
InChIKeyYJICXXYKAXSIDJ-UHFFFAOYSA-N
MW224.21 g/mol
LogP-1.34
Rot. Bonds5

About 2,4-dihydroxybutanoic acid;3-hydroxybutanoic acid

2,4-dihydroxybutanoic acid;3-hydroxybutanoic acid (PubChem CID 174846249) has the molecular formula C8H16O7 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2,4-dihydroxybutanoic acid;3-hydroxybutanoic acid.

Molecular Properties

Compound Name2,4-dihydroxybutanoic acid;3-hydroxybutanoic acid
PubChem CID174846249
Molecular FormulaC8H16O7
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC Name2,4-dihydroxybutanoic acid;3-hydroxybutanoic acid
SMILESCC(O)CC(=O)O.O=C(O)C(O)CCO
InChIInChI=1S/C4H8O4.C4H8O3/c5-2-1-3(6)4(7)8;1-3(5)2-4(6)7/h3,5-6H,1-2H2,(H,7,8);3,5H,2H2,1H3,(H,6,7)
InChIKeyYJICXXYKAXSIDJ-UHFFFAOYSA-N
XLogP-1.34
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 5-1.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

sodium;hydride;(3S)-3-hydroxybutanoic acid
CID 173289884
CID 90459779
CID 90459779
2,2-bis(hydroxymethyl)propane-1,3-diol;3-hydroxybutanoic acid
CID 174844775
butane-1,3-diol;3-hydroxy-4-oxo-4-sulfanylbutanoic acid
CID 88605724
2,5-dihydroxyhexanoic acid
CID 18424665
dihydroxy(oxo)phosphanium;3-hydroxybutanoic acid
CID 87534592
2-hydroxybutanedioic acid;16-methylheptadecan-1-ol
CID 174612874
3-hydroxybutanoic acid;4-hydroxybutanoic acid;5-hydroxypentanoic acid
CID 175190112
sodium;ethane-1,2-diol;2-hydroxybutanedioic acid;hydroxide
CID 173385796
ethoxyethane;3-hydroxybutanoic acid
CID 86729964
butanoic acid;3-hydroxybutanoic acid
CID 131984541
carbonic acid;2-hydroxybutanedioic acid
CID 160732172

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxybutanoic acid;3-hydroxybutanoic acid?
The IUPAC name of 2,4-dihydroxybutanoic acid;3-hydroxybutanoic acid (CID 174846249) is 2,4-dihydroxybutanoic acid;3-hydroxybutanoic acid.
What is the SMILES notation for 2,4-dihydroxybutanoic acid;3-hydroxybutanoic acid?
The canonical SMILES for 2,4-dihydroxybutanoic acid;3-hydroxybutanoic acid is CC(O)CC(=O)O.O=C(O)C(O)CCO.
What is the InChIKey of 2,4-dihydroxybutanoic acid;3-hydroxybutanoic acid?
The InChIKey is YJICXXYKAXSIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4.C4H8O3/c5-2-1-3(6)4(7)8;1-3(5)2-4(6)7/h3,5-6H,1-2H2,(H,7,8);3,5H,2H2,1H3,(H,6,7).
What are the key properties of 2,4-dihydroxybutanoic acid;3-hydroxybutanoic acid?
2,4-dihydroxybutanoic acid;3-hydroxybutanoic acid has a molecular weight of 224.21 g/mol, XLogP of -1.34, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxybutanoic acid;3-hydroxybutanoic acid is sourced from PubChem (CID 174846249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).