2-hydroxy-2-(oxolan-3-yl)propanoic acid

C7H12O4 — CID 79303669

IUPAC2-hydroxy-2-(oxolan-3-yl)propanoic acid
SMILESCC(O)(C(=O)O)C1CCOC1
InChIInChI=1S/C7H12O4/c1-7(10,6(8)9)5-2-3-11-4-5/h5,10H,2-4H2,1H3,(H,8,9)
InChIKeyGZKKBIVLRCOXRB-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.14
Rot. Bonds2

About 2-hydroxy-2-(oxolan-3-yl)propanoic acid

2-hydroxy-2-(oxolan-3-yl)propanoic acid (PubChem CID 79303669) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-hydroxy-2-(oxolan-3-yl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-(oxolan-3-yl)propanoic acid
PubChem CID79303669
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name2-hydroxy-2-(oxolan-3-yl)propanoic acid
SMILESCC(O)(C(=O)O)C1CCOC1
InChIInChI=1S/C7H12O4/c1-7(10,6(8)9)5-2-3-11-4-5/h5,10H,2-4H2,1H3,(H,8,9)
InChIKeyGZKKBIVLRCOXRB-UHFFFAOYSA-N
XLogP-0.14
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(oxolan-3-yl)propanoic acid?
The IUPAC name of 2-hydroxy-2-(oxolan-3-yl)propanoic acid (CID 79303669) is 2-hydroxy-2-(oxolan-3-yl)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-(oxolan-3-yl)propanoic acid?
The canonical SMILES for 2-hydroxy-2-(oxolan-3-yl)propanoic acid is CC(O)(C(=O)O)C1CCOC1.
What is the InChIKey of 2-hydroxy-2-(oxolan-3-yl)propanoic acid?
The InChIKey is GZKKBIVLRCOXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-7(10,6(8)9)5-2-3-11-4-5/h5,10H,2-4H2,1H3,(H,8,9).
What are the key properties of 2-hydroxy-2-(oxolan-3-yl)propanoic acid?
2-hydroxy-2-(oxolan-3-yl)propanoic acid has a molecular weight of 160.17 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(oxolan-3-yl)propanoic acid is sourced from PubChem (CID 79303669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).