2-hydroxypropanoyl 2-hydroxy-2,3,3-trimethylbutanoate

C10H18O5 — CID 91039088

IUPAC2-hydroxypropanoyl 2-hydroxy-2,3,3-trimethylbutanoate
SMILESCC(O)C(=O)OC(=O)C(C)(O)C(C)(C)C
InChIInChI=1S/C10H18O5/c1-6(11)7(12)15-8(13)10(5,14)9(2,3)4/h6,11,14H,1-5H3
InChIKeyBBFQWMOHUYUQNG-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.23
Rot. Bonds2

About 2-hydroxypropanoyl 2-hydroxy-2,3,3-trimethylbutanoate

2-hydroxypropanoyl 2-hydroxy-2,3,3-trimethylbutanoate (PubChem CID 91039088) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-hydroxypropanoyl 2-hydroxy-2,3,3-trimethylbutanoate.

Molecular Properties

Compound Name2-hydroxypropanoyl 2-hydroxy-2,3,3-trimethylbutanoate
PubChem CID91039088
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name2-hydroxypropanoyl 2-hydroxy-2,3,3-trimethylbutanoate
SMILESCC(O)C(=O)OC(=O)C(C)(O)C(C)(C)C
InChIInChI=1S/C10H18O5/c1-6(11)7(12)15-8(13)10(5,14)9(2,3)4/h6,11,14H,1-5H3
InChIKeyBBFQWMOHUYUQNG-UHFFFAOYSA-N
XLogP0.23
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,2,2-trifluoroacetyl) 2-hydroxypropanoate
CID 174789042
calcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate
CID 173336900
2-hydroxy-2-methylpropanoic acid;methyl 2-hydroxypropanoate
CID 159015634
calcium;carboxy 2-hydroxypropanoate;hydride
CID 174466571
(2-aminoacetyl) 2-hydroxypropanoate
CID 87499262
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
(2-aminoacetyl) 2-hydroxypropanoate;copper
CID 87635817
2,3-dihydroxy-4-(2-hydroxypropanoyloxy)-4-oxobutanoic acid
CID 88640812
[2-hydroxy-1-(2-hydroxypropanoylperoxy)-1-oxopropan-2-yl] 2-aminopropanoate
CID 133064947
2-hydroxypropanoyl (2R)-2-amino-3-hydroxypropanoate
CID 118649421
[2,3-dihydroxy-2-(hydroxymethyl)butanoyl] 2,3-dihydroxy-2-(hydroxymethyl)butanoate
CID 141414633
4-(2-hydroxypropanoyloxy)-4-oxobut-2-enoic acid
CID 154353542

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoyl 2-hydroxy-2,3,3-trimethylbutanoate?
The IUPAC name of 2-hydroxypropanoyl 2-hydroxy-2,3,3-trimethylbutanoate (CID 91039088) is 2-hydroxypropanoyl 2-hydroxy-2,3,3-trimethylbutanoate.
What is the SMILES notation for 2-hydroxypropanoyl 2-hydroxy-2,3,3-trimethylbutanoate?
The canonical SMILES for 2-hydroxypropanoyl 2-hydroxy-2,3,3-trimethylbutanoate is CC(O)C(=O)OC(=O)C(C)(O)C(C)(C)C.
What is the InChIKey of 2-hydroxypropanoyl 2-hydroxy-2,3,3-trimethylbutanoate?
The InChIKey is BBFQWMOHUYUQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-6(11)7(12)15-8(13)10(5,14)9(2,3)4/h6,11,14H,1-5H3.
What are the key properties of 2-hydroxypropanoyl 2-hydroxy-2,3,3-trimethylbutanoate?
2-hydroxypropanoyl 2-hydroxy-2,3,3-trimethylbutanoate has a molecular weight of 218.25 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoyl 2-hydroxy-2,3,3-trimethylbutanoate is sourced from PubChem (CID 91039088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).