2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid

C8H12O5 — CID 68823820

IUPAC2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid
SMILESCC(C(=O)O)[C@@H]1OC(C)(C)OC1=O
InChIInChI=1S/C8H12O5/c1-4(6(9)10)5-7(11)13-8(2,3)12-5/h4-5H,1-3H3,(H,9,10)/t4?,5-/m0/s1
InChIKeyDPAZOQHITBZWNH-AKGZTFGVSA-N
MW188.18 g/mol
LogP0.39
Rot. Bonds2

About 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid

2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid (PubChem CID 68823820) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid.

Molecular Properties

Compound Name2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid
PubChem CID68823820
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Name2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid
SMILESCC(C(=O)O)[C@@H]1OC(C)(C)OC1=O
InChIInChI=1S/C8H12O5/c1-4(6(9)10)5-7(11)13-8(2,3)12-5/h4-5H,1-3H3,(H,9,10)/t4?,5-/m0/s1
InChIKeyDPAZOQHITBZWNH-AKGZTFGVSA-N
XLogP0.39
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid?
The IUPAC name of 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid (CID 68823820) is 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid.
What is the SMILES notation for 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid?
The canonical SMILES for 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid is CC(C(=O)O)[C@@H]1OC(C)(C)OC1=O.
What is the InChIKey of 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid?
The InChIKey is DPAZOQHITBZWNH-AKGZTFGVSA-N. The full InChI is InChI=1S/C8H12O5/c1-4(6(9)10)5-7(11)13-8(2,3)12-5/h4-5H,1-3H3,(H,9,10)/t4?,5-/m0/s1.
What are the key properties of 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid?
2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid has a molecular weight of 188.18 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid is sourced from PubChem (CID 68823820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).