2-(oxolan-3-yl)acetic acid

C6H10O3 — CID 4244905

IUPAC2-(oxolan-3-yl)acetic acid
SMILESO=C(O)CC1CCOC1
InChIInChI=1S/C6H10O3/c7-6(8)3-5-1-2-9-4-5/h5H,1-4H2,(H,7,8)
InChIKeyJSWKBJIKVSXWDJ-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.50
Rot. Bonds2

About 2-(oxolan-3-yl)acetic acid

2-(oxolan-3-yl)acetic acid (PubChem CID 4244905) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2-(oxolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(oxolan-3-yl)acetic acid
PubChem CID4244905
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2-(oxolan-3-yl)acetic acid
SMILESO=C(O)CC1CCOC1
InChIInChI=1S/C6H10O3/c7-6(8)3-5-1-2-9-4-5/h5H,1-4H2,(H,7,8)
InChIKeyJSWKBJIKVSXWDJ-UHFFFAOYSA-N
XLogP0.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)acetic acid?
The IUPAC name of 2-(oxolan-3-yl)acetic acid (CID 4244905) is 2-(oxolan-3-yl)acetic acid.
What is the SMILES notation for 2-(oxolan-3-yl)acetic acid?
The canonical SMILES for 2-(oxolan-3-yl)acetic acid is O=C(O)CC1CCOC1.
What is the InChIKey of 2-(oxolan-3-yl)acetic acid?
The InChIKey is JSWKBJIKVSXWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c7-6(8)3-5-1-2-9-4-5/h5H,1-4H2,(H,7,8).
What are the key properties of 2-(oxolan-3-yl)acetic acid?
2-(oxolan-3-yl)acetic acid has a molecular weight of 130.14 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)acetic acid is sourced from PubChem (CID 4244905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).