3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid

C5H10O5 — CID 10313222

IUPAC3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid
SMILESO=C(O)C(CO)(CO)CO
InChIInChI=1S/C5H10O5/c6-1-5(2-7,3-8)4(9)10/h6-8H,1-3H2,(H,9,10)
InChIKeyWACQLQIAUWURGA-UHFFFAOYSA-N
MW150.13 g/mol
LogP-1.97
Rot. Bonds4

About 3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid

3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid (PubChem CID 10313222) has the molecular formula C5H10O5 and a molecular weight of 150.13 g/mol. Its IUPAC name is 3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid
PubChem CID10313222
Molecular FormulaC5H10O5
Molecular Weight150.13 g/mol
Exact Mass150.05
IUPAC Name3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid
SMILESO=C(O)C(CO)(CO)CO
InChIInChI=1S/C5H10O5/c6-1-5(2-7,3-8)4(9)10/h6-8H,1-3H2,(H,9,10)
InChIKeyWACQLQIAUWURGA-UHFFFAOYSA-N
XLogP-1.97
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 5-1.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid?
The IUPAC name of 3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid (CID 10313222) is 3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid.
What is the SMILES notation for 3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid?
The canonical SMILES for 3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid is O=C(O)C(CO)(CO)CO.
What is the InChIKey of 3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid?
The InChIKey is WACQLQIAUWURGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O5/c6-1-5(2-7,3-8)4(9)10/h6-8H,1-3H2,(H,9,10).
What are the key properties of 3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid?
3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid has a molecular weight of 150.13 g/mol, XLogP of -1.97, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid is sourced from PubChem (CID 10313222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).