(2S)-2-acetyloxypropanoic acid

C5H8O4 — CID 6326324

IUPAC(2S)-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-/m0/s1
InChIKeyWTLNOANVTIKPEE-VKHMYHEASA-N
MW132.11 g/mol
LogP0.02
Rot. Bonds2

About (2S)-2-acetyloxypropanoic acid

(2S)-2-acetyloxypropanoic acid (PubChem CID 6326324) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is (2S)-2-acetyloxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-acetyloxypropanoic acid
PubChem CID6326324
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name(2S)-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-/m0/s1
InChIKeyWTLNOANVTIKPEE-VKHMYHEASA-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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Related Compounds

(2S)-2-acetyloxypropanoic acid;hydrochloride
CID 87235291
(2S)-2-acetyloxypropanoate
CID 40784882
[(2S)-1-bromo-1-oxopropan-2-yl] acetate
CID 18637837
(2S)-2-[(2S)-2-[(2S)-2-[3-[(2S)-2-acetyloxypropanoyl]oxypropanoyloxy]propanoyl]oxypropanoyl]oxypropanoic acid
CID 135353579
(2R,3R)-2,3-diacetyloxybutanedioic acid
CID 2060943
(2R)-2-acetyloxy-4-methylpentanoic acid
CID 71346795
methanol;2-(2-methylprop-2-enoyloxy)propanoic acid
CID 174868597
(2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid
CID 139060964
2-[(2R)-2-hydroxypropanoyl]oxypropanoic acid
CID 54178313
2-acetyloxypropanoyl(trihydroxy)phosphanium
CID 57269878
(2S)-2-[(2R,3R)-2,3-dihydroxy-4-oxopentanoyl]oxypropanoic acid
CID 157086316
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-1-[(2S)-1-[(2S)-1-[(1S)-1-carboxyethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
CID 156757405

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetyloxypropanoic acid?
The IUPAC name of (2S)-2-acetyloxypropanoic acid (CID 6326324) is (2S)-2-acetyloxypropanoic acid.
What is the SMILES notation for (2S)-2-acetyloxypropanoic acid?
The canonical SMILES for (2S)-2-acetyloxypropanoic acid is CC(=O)O[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-acetyloxypropanoic acid?
The InChIKey is WTLNOANVTIKPEE-VKHMYHEASA-N. The full InChI is InChI=1S/C5H8O4/c1-3(5(7)8)9-4(2)6/h3H,1-2H3,(H,7,8)/t3-/m0/s1.
What are the key properties of (2S)-2-acetyloxypropanoic acid?
(2S)-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 (2S)-2-acetyloxypropanoic acid is sourced from PubChem (CID 6326324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).