3-carboxyoxy-2-hydroxypropanoic acid

C4H6O6 — CID 54014776

IUPAC3-carboxyoxy-2-hydroxypropanoic acid
SMILESO=C(O)OCC(O)C(=O)O
InChIInChI=1S/C4H6O6/c5-2(3(6)7)1-10-4(8)9/h2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyKUVXQAWMEHTXOV-UHFFFAOYSA-N
MW150.09 g/mol
LogP-0.87
Rot. Bonds3

About 3-carboxyoxy-2-hydroxypropanoic acid

3-carboxyoxy-2-hydroxypropanoic acid (PubChem CID 54014776) has the molecular formula C4H6O6 and a molecular weight of 150.09 g/mol. Its IUPAC name is 3-carboxyoxy-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-carboxyoxy-2-hydroxypropanoic acid
PubChem CID54014776
Molecular FormulaC4H6O6
Molecular Weight150.09 g/mol
Exact Mass150.02
IUPAC Name3-carboxyoxy-2-hydroxypropanoic acid
SMILESO=C(O)OCC(O)C(=O)O
InChIInChI=1S/C4H6O6/c5-2(3(6)7)1-10-4(8)9/h2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyKUVXQAWMEHTXOV-UHFFFAOYSA-N
XLogP-0.87
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.09
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-carboxyoxy-2-hydroxypropanoic acid?
The IUPAC name of 3-carboxyoxy-2-hydroxypropanoic acid (CID 54014776) is 3-carboxyoxy-2-hydroxypropanoic acid.
What is the SMILES notation for 3-carboxyoxy-2-hydroxypropanoic acid?
The canonical SMILES for 3-carboxyoxy-2-hydroxypropanoic acid is O=C(O)OCC(O)C(=O)O.
What is the InChIKey of 3-carboxyoxy-2-hydroxypropanoic acid?
The InChIKey is KUVXQAWMEHTXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6/c5-2(3(6)7)1-10-4(8)9/h2,5H,1H2,(H,6,7)(H,8,9).
What are the key properties of 3-carboxyoxy-2-hydroxypropanoic acid?
3-carboxyoxy-2-hydroxypropanoic acid has a molecular weight of 150.09 g/mol, XLogP of -0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carboxyoxy-2-hydroxypropanoic acid is sourced from PubChem (CID 54014776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).