(2R)-2-acetyloxypropanoic acid

C5H8O4 — CID 5325906

IUPAC(2R)-2-acetyloxypropanoic acid
SMILESCC(=O)O[C@H](C)C(=O)O
InChIInChI=1S/C5H8O4/c1-3(5(7)8)9-4(2)6/h3H,1-2H3,(H,7,8)/t3-/m1/s1
InChIKeyWTLNOANVTIKPEE-GSVOUGTGSA-N
MW132.11 g/mol
LogP0.02
Rot. Bonds2

About (2R)-2-acetyloxypropanoic acid

(2R)-2-acetyloxypropanoic acid (PubChem CID 5325906) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is (2R)-2-acetyloxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-acetyloxypropanoic acid
PubChem CID5325906
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name(2R)-2-acetyloxypropanoic acid
SMILESCC(=O)O[C@H](C)C(=O)O
InChIInChI=1S/C5H8O4/c1-3(5(7)8)9-4(2)6/h3H,1-2H3,(H,7,8)/t3-/m1/s1
InChIKeyWTLNOANVTIKPEE-GSVOUGTGSA-N
XLogP0.02
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetyloxypropanoic acid?
The IUPAC name of (2R)-2-acetyloxypropanoic acid (CID 5325906) is (2R)-2-acetyloxypropanoic acid.
What is the SMILES notation for (2R)-2-acetyloxypropanoic acid?
The canonical SMILES for (2R)-2-acetyloxypropanoic acid is CC(=O)O[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-acetyloxypropanoic acid?
The InChIKey is WTLNOANVTIKPEE-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H8O4/c1-3(5(7)8)9-4(2)6/h3H,1-2H3,(H,7,8)/t3-/m1/s1.
What are the key properties of (2R)-2-acetyloxypropanoic acid?
(2R)-2-acetyloxypropanoic acid has a molecular weight of 132.11 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetyloxypropanoic acid is sourced from PubChem (CID 5325906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).