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

C7H10O5 — CID 10844960

IUPAC2-[(4R)-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-/m1/s1
InChIKeyIDQOCLIWDMZKBZ-SCSAIBSYSA-N
MW174.15 g/mol
LogP0.14
Rot. Bonds2

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

2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid (PubChem CID 10844960) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid
PubChem CID10844960
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name2-[(4R)-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-/m1/s1
InChIKeyIDQOCLIWDMZKBZ-SCSAIBSYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid?
The IUPAC name of 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid (CID 10844960) is 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid.
What is the SMILES notation for 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid?
The canonical SMILES for 2-[(4R)-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-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid?
The InChIKey is IDQOCLIWDMZKBZ-SCSAIBSYSA-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-/m1/s1.
What are the key properties of 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid?
2-[(4R)-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-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid is sourced from PubChem (CID 10844960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).