2-cyano-2-(2-methoxyoxolan-3-yl)butanoic acid

C10H15NO4 — CID 70033786

IUPAC2-cyano-2-(2-methoxyoxolan-3-yl)butanoic acid
SMILESCCC(C#N)(C(=O)O)C1CCOC1OC
InChIInChI=1S/C10H15NO4/c1-3-10(6-11,9(12)13)7-4-5-15-8(7)14-2/h7-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyDJIURGYEBPXJPF-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.00
Rot. Bonds4

About 2-cyano-2-(2-methoxyoxolan-3-yl)butanoic acid

2-cyano-2-(2-methoxyoxolan-3-yl)butanoic acid (PubChem CID 70033786) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-cyano-2-(2-methoxyoxolan-3-yl)butanoic acid.

Molecular Properties

Compound Name2-cyano-2-(2-methoxyoxolan-3-yl)butanoic acid
PubChem CID70033786
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-cyano-2-(2-methoxyoxolan-3-yl)butanoic acid
SMILESCCC(C#N)(C(=O)O)C1CCOC1OC
InChIInChI=1S/C10H15NO4/c1-3-10(6-11,9(12)13)7-4-5-15-8(7)14-2/h7-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyDJIURGYEBPXJPF-UHFFFAOYSA-N
XLogP1.00
TPSA79.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-(2-methoxyoxolan-3-yl)butanoic acid?
The IUPAC name of 2-cyano-2-(2-methoxyoxolan-3-yl)butanoic acid (CID 70033786) is 2-cyano-2-(2-methoxyoxolan-3-yl)butanoic acid.
What is the SMILES notation for 2-cyano-2-(2-methoxyoxolan-3-yl)butanoic acid?
The canonical SMILES for 2-cyano-2-(2-methoxyoxolan-3-yl)butanoic acid is CCC(C#N)(C(=O)O)C1CCOC1OC.
What is the InChIKey of 2-cyano-2-(2-methoxyoxolan-3-yl)butanoic acid?
The InChIKey is DJIURGYEBPXJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-10(6-11,9(12)13)7-4-5-15-8(7)14-2/h7-8H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-cyano-2-(2-methoxyoxolan-3-yl)butanoic acid?
2-cyano-2-(2-methoxyoxolan-3-yl)butanoic acid has a molecular weight of 213.23 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-(2-methoxyoxolan-3-yl)butanoic acid is sourced from PubChem (CID 70033786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).