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

C7H10O5 — CID 641720

IUPAC2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid
SMILESCC1(C)OC(=O)[C@H](CC(=O)O)O1
InChIInChI=1S/C7H10O5/c1-7(2)11-4(3-5(8)9)6(10)12-7/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
InChIKeyIDQOCLIWDMZKBZ-BYPYZUCNSA-N
MW174.15 g/mol
LogP0.14
Rot. Bonds2

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

2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid (PubChem CID 641720) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid
PubChem CID641720
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid
SMILESCC1(C)OC(=O)[C@H](CC(=O)O)O1
InChIInChI=1S/C7H10O5/c1-7(2)11-4(3-5(8)9)6(10)12-7/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
InChIKeyIDQOCLIWDMZKBZ-BYPYZUCNSA-N
XLogP0.14
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Methyl-1,3-dioxolan-2-yl)acetic acid
CID 560044
(2R,3R)-Dimethyl-2,3-O-isopropylidene tartrate
CID 688155
4,5-Dimethyl (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
CID 688156
Methyl (4S,5R)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
CID 6544468
2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10909699
Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
CID 853434
2-((4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
CID 10844960
(4R,5R)-Diethyl 2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
CID 774789
Diethyl 1,3-dioxolane-4,5-dicarboxylate
CID 575846
Diethyl 2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
CID 615621
(2,2-Dimethyl-1,3-dioxolan-4-yl)acetic acid
CID 14141014
sodium (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate
CID 23682088

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid?
The IUPAC name of 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid (CID 641720) is 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid.
What is the SMILES notation for 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid?
The canonical SMILES for 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid is CC1(C)OC(=O)[C@H](CC(=O)O)O1.
What is the InChIKey of 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid?
The InChIKey is IDQOCLIWDMZKBZ-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H10O5/c1-7(2)11-4(3-5(8)9)6(10)12-7/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1.
What are the key properties of 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid?
2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid has a molecular weight of 174.15 g/mol, XLogP of 0.14, 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]acetic acid is sourced from PubChem (CID 641720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).