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

C7H12O5 — CID 13388531

IUPAC(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetic acid
SMILESCC1(C)OC[C@@H]([C@@H](O)C(=O)O)O1
InChIInChI=1S/C7H12O5/c1-7(2)11-3-4(12-7)5(8)6(9)10/h4-5,8H,3H2,1-2H3,(H,9,10)/t4-,5+/m0/s1
InChIKeyQJOVXYPGARVTQY-CRCLSJGQSA-N
MW176.17 g/mol
LogP-0.42
Rot. Bonds2

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

(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetic acid (PubChem CID 13388531) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetic acid
PubChem CID13388531
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetic acid
SMILESCC1(C)OC[C@@H]([C@@H](O)C(=O)O)O1
InChIInChI=1S/C7H12O5/c1-7(2)11-3-4(12-7)5(8)6(9)10/h4-5,8H,3H2,1-2H3,(H,9,10)/t4-,5+/m0/s1
InChIKeyQJOVXYPGARVTQY-CRCLSJGQSA-N
XLogP-0.42
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetic acid?
The IUPAC name of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetic acid (CID 13388531) is (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetic acid.
What is the SMILES notation for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetic acid?
The canonical SMILES for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetic acid is CC1(C)OC[C@@H]([C@@H](O)C(=O)O)O1.
What is the InChIKey of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetic acid?
The InChIKey is QJOVXYPGARVTQY-CRCLSJGQSA-N. The full InChI is InChI=1S/C7H12O5/c1-7(2)11-3-4(12-7)5(8)6(9)10/h4-5,8H,3H2,1-2H3,(H,9,10)/t4-,5+/m0/s1.
What are the key properties of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetic acid?
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetic acid has a molecular weight of 176.17 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetic acid is sourced from PubChem (CID 13388531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).