(2S)-2-acetyloxypropanoate

C5H7O4- — CID 40784882

IUPAC(2S)-2-acetyloxypropanoate
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)/p-1/t3-/m0/s1
InChIKeyWTLNOANVTIKPEE-VKHMYHEASA-M
MW131.11 g/mol
LogP-1.31
Rot. Bonds2

About (2S)-2-acetyloxypropanoate

(2S)-2-acetyloxypropanoate (PubChem CID 40784882) has the molecular formula C5H7O4- and a molecular weight of 131.11 g/mol. Its IUPAC name is (2S)-2-acetyloxypropanoate.

Molecular Properties

Compound Name(2S)-2-acetyloxypropanoate
PubChem CID40784882
Molecular FormulaC5H7O4-
Molecular Weight131.11 g/mol
Exact Mass131.03
IUPAC Name(2S)-2-acetyloxypropanoate
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)/p-1/t3-/m0/s1
InChIKeyWTLNOANVTIKPEE-VKHMYHEASA-M
XLogP-1.31
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.11
LogP ≤ 5-1.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-acetyloxypropanoic acid
CID 6326324
(2S)-2-acetyloxypropanoic acid;hydrochloride
CID 87235291
[(2S)-1-bromo-1-oxopropan-2-yl] acetate
CID 18637837
2-acetyloxypropanoyl(trihydroxy)phosphanium
CID 57269878
lithium 2-prop-2-enoyloxypropanoate
CID 157433958
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] acetate
CID 14241776
(2S)-2-(propan-2-ylideneamino)oxypropanoate
CID 6931653
barium(2+);bis(2-methylpropanoate)
CID 23219604
(2R)-2-[(2R)-2-(propan-2-ylamino)propanoyl]oxypropanoate
CID 140739892
propan-2-yl acetate;hydrochloride
CID 87336432
3-hydroxybutan-2-yl acetate;3-oxobutan-2-yl acetate
CID 54434658
1-propan-2-yloxyethyl 2-acetyloxypropanoate
CID 171574286

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetyloxypropanoate?
The IUPAC name of (2S)-2-acetyloxypropanoate (CID 40784882) is (2S)-2-acetyloxypropanoate.
What is the SMILES notation for (2S)-2-acetyloxypropanoate?
The canonical SMILES for (2S)-2-acetyloxypropanoate is CC(=O)O[C@@H](C)C(=O)[O-].
What is the InChIKey of (2S)-2-acetyloxypropanoate?
The InChIKey is WTLNOANVTIKPEE-VKHMYHEASA-M. The full InChI is InChI=1S/C5H8O4/c1-3(5(7)8)9-4(2)6/h3H,1-2H3,(H,7,8)/p-1/t3-/m0/s1.
What are the key properties of (2S)-2-acetyloxypropanoate?
(2S)-2-acetyloxypropanoate has a molecular weight of 131.11 g/mol, XLogP of -1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetyloxypropanoate is sourced from PubChem (CID 40784882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).