3-hydroxy-2-propoxypropanoic acid

C6H12O4 — CID 87915368

IUPAC3-hydroxy-2-propoxypropanoic acid
SMILESCCCOC(CO)C(=O)O
InChIInChI=1S/C6H12O4/c1-2-3-10-5(4-7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyALKCVOYWTOPYOE-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.14
Rot. Bonds5

About 3-hydroxy-2-propoxypropanoic acid

3-hydroxy-2-propoxypropanoic acid (PubChem CID 87915368) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is 3-hydroxy-2-propoxypropanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-propoxypropanoic acid
PubChem CID87915368
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name3-hydroxy-2-propoxypropanoic acid
SMILESCCCOC(CO)C(=O)O
InChIInChI=1S/C6H12O4/c1-2-3-10-5(4-7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyALKCVOYWTOPYOE-UHFFFAOYSA-N
XLogP-0.14
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-propoxypropanoic acid?
The IUPAC name of 3-hydroxy-2-propoxypropanoic acid (CID 87915368) is 3-hydroxy-2-propoxypropanoic acid.
What is the SMILES notation for 3-hydroxy-2-propoxypropanoic acid?
The canonical SMILES for 3-hydroxy-2-propoxypropanoic acid is CCCOC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-propoxypropanoic acid?
The InChIKey is ALKCVOYWTOPYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4/c1-2-3-10-5(4-7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9).
What are the key properties of 3-hydroxy-2-propoxypropanoic acid?
3-hydroxy-2-propoxypropanoic acid has a molecular weight of 148.16 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-propoxypropanoic acid is sourced from PubChem (CID 87915368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).