3,3-dihydroxy-2-(hydroxymethyl)-2-methylpropanoic acid

C5H10O5 — CID 141219993

IUPAC3,3-dihydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
SMILESCC(CO)(C(=O)O)C(O)O
InChIInChI=1S/C5H10O5/c1-5(2-6,3(7)8)4(9)10/h3,6-8H,2H2,1H3,(H,9,10)
InChIKeyATEQRAVSAINHBS-UHFFFAOYSA-N
MW150.13 g/mol
LogP-1.62
Rot. Bonds3

About 3,3-dihydroxy-2-(hydroxymethyl)-2-methylpropanoic acid

3,3-dihydroxy-2-(hydroxymethyl)-2-methylpropanoic acid (PubChem CID 141219993) has the molecular formula C5H10O5 and a molecular weight of 150.13 g/mol. Its IUPAC name is 3,3-dihydroxy-2-(hydroxymethyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3,3-dihydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
PubChem CID141219993
Molecular FormulaC5H10O5
Molecular Weight150.13 g/mol
Exact Mass150.05
IUPAC Name3,3-dihydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
SMILESCC(CO)(C(=O)O)C(O)O
InChIInChI=1S/C5H10O5/c1-5(2-6,3(7)8)4(9)10/h3,6-8H,2H2,1H3,(H,9,10)
InChIKeyATEQRAVSAINHBS-UHFFFAOYSA-N
XLogP-1.62
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,4-diamino-2-(hydroxymethyl)-2-methylbutanoic acid
CID 87840763
2-(hydroxymethyl)-2,3-dimethylhexanedioic acid
CID 91573436
acetic acid;3-(hydroxymethyl)-2,3-dimethylpentane-2,4-diol
CID 162322991
CID 131881947
CID 131881947
cobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
CID 174867740
3-hydroxy-2,2-dimethylpropanoic acid;silver
CID 87183588
3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;silver
CID 87183667
2,2,4-triethyl-3-hydroxy-4-methylpentanedioic acid
CID 154981818
2-(1-hydroxypropyl)-2-methylbutanedioic acid
CID 174477504
2,2-dimethylpropane-1,1-diol;3-hydroxy-2,2-dimethylpropanal
CID 162717045
(2-carboxy-1-hydroxypropan-2-yl)azanium
CID 163480089
6-hydroxy-2-methyl-2-propan-2-ylhexanoic acid
CID 83148671

Frequently Asked Questions

What is the IUPAC name of 3,3-dihydroxy-2-(hydroxymethyl)-2-methylpropanoic acid?
The IUPAC name of 3,3-dihydroxy-2-(hydroxymethyl)-2-methylpropanoic acid (CID 141219993) is 3,3-dihydroxy-2-(hydroxymethyl)-2-methylpropanoic acid.
What is the SMILES notation for 3,3-dihydroxy-2-(hydroxymethyl)-2-methylpropanoic acid?
The canonical SMILES for 3,3-dihydroxy-2-(hydroxymethyl)-2-methylpropanoic acid is CC(CO)(C(=O)O)C(O)O.
What is the InChIKey of 3,3-dihydroxy-2-(hydroxymethyl)-2-methylpropanoic acid?
The InChIKey is ATEQRAVSAINHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O5/c1-5(2-6,3(7)8)4(9)10/h3,6-8H,2H2,1H3,(H,9,10).
What are the key properties of 3,3-dihydroxy-2-(hydroxymethyl)-2-methylpropanoic acid?
3,3-dihydroxy-2-(hydroxymethyl)-2-methylpropanoic acid has a molecular weight of 150.13 g/mol, XLogP of -1.62, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dihydroxy-2-(hydroxymethyl)-2-methylpropanoic acid is sourced from PubChem (CID 141219993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).