(2S)-2-acetyloxypropanoic acid;hydrochloride

C5H9ClO4 — CID 87235291

IUPAC(2S)-2-acetyloxypropanoic acid;hydrochloride
SMILESCC(=O)O[C@@H](C)C(=O)O.Cl
InChIInChI=1S/C5H8O4.ClH/c1-3(5(7)8)9-4(2)6;/h3H,1-2H3,(H,7,8);1H/t3-;/m0./s1
InChIKeyCOLSQJJULHXDAN-DFWYDOINSA-N
MW168.58 g/mol
LogP0.44
Rot. Bonds2

About (2S)-2-acetyloxypropanoic acid;hydrochloride

(2S)-2-acetyloxypropanoic acid;hydrochloride (PubChem CID 87235291) has the molecular formula C5H9ClO4 and a molecular weight of 168.58 g/mol. Its IUPAC name is (2S)-2-acetyloxypropanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-acetyloxypropanoic acid;hydrochloride
PubChem CID87235291
Molecular FormulaC5H9ClO4
Molecular Weight168.58 g/mol
Exact Mass168.02
IUPAC Name(2S)-2-acetyloxypropanoic acid;hydrochloride
SMILESCC(=O)O[C@@H](C)C(=O)O.Cl
InChIInChI=1S/C5H8O4.ClH/c1-3(5(7)8)9-4(2)6;/h3H,1-2H3,(H,7,8);1H/t3-;/m0./s1
InChIKeyCOLSQJJULHXDAN-DFWYDOINSA-N
XLogP0.44
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.58
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetyloxypropanoic acid;hydrochloride?
The IUPAC name of (2S)-2-acetyloxypropanoic acid;hydrochloride (CID 87235291) is (2S)-2-acetyloxypropanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-acetyloxypropanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-acetyloxypropanoic acid;hydrochloride is CC(=O)O[C@@H](C)C(=O)O.Cl.
What is the InChIKey of (2S)-2-acetyloxypropanoic acid;hydrochloride?
The InChIKey is COLSQJJULHXDAN-DFWYDOINSA-N. The full InChI is InChI=1S/C5H8O4.ClH/c1-3(5(7)8)9-4(2)6;/h3H,1-2H3,(H,7,8);1H/t3-;/m0./s1.
What are the key properties of (2S)-2-acetyloxypropanoic acid;hydrochloride?
(2S)-2-acetyloxypropanoic acid;hydrochloride has a molecular weight of 168.58 g/mol, XLogP of 0.44, 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;hydrochloride is sourced from PubChem (CID 87235291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).