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

C8H14O4 — CID 10866819

IUPAC3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
SMILESCC1(C)OC[C@H](CCC(=O)O)O1
InChIInChI=1S/C8H14O4/c1-8(2)11-5-6(12-8)3-4-7(9)10/h6H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyVOIMKESBBFHOSH-LURJTMIESA-N
MW174.20 g/mol
LogP1.00
Rot. Bonds3

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

3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid (PubChem CID 10866819) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
PubChem CID10866819
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
SMILESCC1(C)OC[C@H](CCC(=O)O)O1
InChIInChI=1S/C8H14O4/c1-8(2)11-5-6(12-8)3-4-7(9)10/h6H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyVOIMKESBBFHOSH-LURJTMIESA-N
XLogP1.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl levulinate propyleneglycol ketal
CID 221634
Ethyl glycerin acetal levulinate
CID 249203
4-Oxo-4-(oxolan-2-ylmethoxy)butanoic acid
CID 658628
3-(2,2-Dimethyl-1,3-dioxolan-4-yl)propanoic acid
CID 11171261
1,3-Dioxolane-2-propanoic acid, 2-methyl-, methyl ester
CID 560031
3-(2-methyl-1,3-dioxolan-2-yl)propanoic Acid
CID 10931724
Pentanoic acid, 4,5-bis(acetyloxy)-
CID 11321919
Ethyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 11788909
methyl (2S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoate
CID 9815651
(2S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoic acid
CID 54349651
3-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-difluoropropanoic acid
CID 69401432
3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoropropanoic acid
CID 71170484

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid?
The IUPAC name of 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid (CID 10866819) is 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid.
What is the SMILES notation for 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid?
The canonical SMILES for 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid is CC1(C)OC[C@H](CCC(=O)O)O1.
What is the InChIKey of 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid?
The InChIKey is VOIMKESBBFHOSH-LURJTMIESA-N. The full InChI is InChI=1S/C8H14O4/c1-8(2)11-5-6(12-8)3-4-7(9)10/h6H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1.
What are the key properties of 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid?
3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid has a molecular weight of 174.20 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid is sourced from PubChem (CID 10866819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).