2,3-dihydroxy-2,3-di(propanoyl)butanedioic acid

C10H14O8 — CID 22153533

IUPAC2,3-dihydroxy-2,3-di(propanoyl)butanedioic acid
SMILESCCC(=O)C(O)(C(=O)O)C(O)(C(=O)O)C(=O)CC
InChIInChI=1S/C10H14O8/c1-3-5(11)9(17,7(13)14)10(18,8(15)16)6(12)4-2/h17-18H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyYEZSXYLRMPUPGX-UHFFFAOYSA-N
MW262.21 g/mol
LogP-1.42
Rot. Bonds7

About 2,3-dihydroxy-2,3-di(propanoyl)butanedioic acid

2,3-dihydroxy-2,3-di(propanoyl)butanedioic acid (PubChem CID 22153533) has the molecular formula C10H14O8 and a molecular weight of 262.21 g/mol. Its IUPAC name is 2,3-dihydroxy-2,3-di(propanoyl)butanedioic acid.

Molecular Properties

Compound Name2,3-dihydroxy-2,3-di(propanoyl)butanedioic acid
PubChem CID22153533
Molecular FormulaC10H14O8
Molecular Weight262.21 g/mol
Exact Mass262.07
IUPAC Name2,3-dihydroxy-2,3-di(propanoyl)butanedioic acid
SMILESCCC(=O)C(O)(C(=O)O)C(O)(C(=O)O)C(=O)CC
InChIInChI=1S/C10H14O8/c1-3-5(11)9(17,7(13)14)10(18,8(15)16)6(12)4-2/h17-18H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyYEZSXYLRMPUPGX-UHFFFAOYSA-N
XLogP-1.42
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-2,3-di(decanoyl)-2,3-dihydroxybutanedioic acid
CID 139659020
1,1,1-tribromobutan-2-one
CID 5323804
2-ethyl-2-propanoylpropanedioic acid
CID 175438827
nickel;propanoic acid
CID 54601332
3-oxo-2,2-dipropylpentanoic acid
CID 175535849
(4R,5R)-5-bromo-4-ethyl-4,5-dihydroxyhexan-3-one
CID 97050275
bromomethane;propanoic acid
CID 159987396
4-hydroxy-4-propylheptan-3-one
CID 4046813
bromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 158369615
2-hydroxy-2-(2-oxobutyl)butanedioic acid
CID 122595284
(2S,3S)-2,3-dihydroxy-2,3-bis(2-phenylacetyl)butanedioic acid
CID 141194460
(2R)-2-ethyl-2-hydroxybutanedioic acid
CID 5280519

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-2,3-di(propanoyl)butanedioic acid?
The IUPAC name of 2,3-dihydroxy-2,3-di(propanoyl)butanedioic acid (CID 22153533) is 2,3-dihydroxy-2,3-di(propanoyl)butanedioic acid.
What is the SMILES notation for 2,3-dihydroxy-2,3-di(propanoyl)butanedioic acid?
The canonical SMILES for 2,3-dihydroxy-2,3-di(propanoyl)butanedioic acid is CCC(=O)C(O)(C(=O)O)C(O)(C(=O)O)C(=O)CC.
What is the InChIKey of 2,3-dihydroxy-2,3-di(propanoyl)butanedioic acid?
The InChIKey is YEZSXYLRMPUPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O8/c1-3-5(11)9(17,7(13)14)10(18,8(15)16)6(12)4-2/h17-18H,3-4H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2,3-dihydroxy-2,3-di(propanoyl)butanedioic acid?
2,3-dihydroxy-2,3-di(propanoyl)butanedioic acid has a molecular weight of 262.21 g/mol, XLogP of -1.42, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-2,3-di(propanoyl)butanedioic acid is sourced from PubChem (CID 22153533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).