3-[(2-methylpropan-2-yl)oxy]propanoic acid

C7H14O3 — CID 2760949

IUPAC3-[(2-methylpropan-2-yl)oxy]propanoic acid
SMILESCC(C)(C)OCCC(=O)O
InChIInChI=1S/C7H14O3/c1-7(2,3)10-5-4-6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKeyKXZYUJNAHMNZBA-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.28
Rot. Bonds3

About 3-[(2-methylpropan-2-yl)oxy]propanoic acid

3-[(2-methylpropan-2-yl)oxy]propanoic acid (PubChem CID 2760949) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]propanoic acid.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]propanoic acid
PubChem CID2760949
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name3-[(2-methylpropan-2-yl)oxy]propanoic acid
SMILESCC(C)(C)OCCC(=O)O
InChIInChI=1S/C7H14O3/c1-7(2,3)10-5-4-6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKeyKXZYUJNAHMNZBA-UHFFFAOYSA-N
XLogP1.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]propanoic acid?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]propanoic acid (CID 2760949) is 3-[(2-methylpropan-2-yl)oxy]propanoic acid.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]propanoic acid?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]propanoic acid is CC(C)(C)OCCC(=O)O.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]propanoic acid?
The InChIKey is KXZYUJNAHMNZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-7(2,3)10-5-4-6(8)9/h4-5H2,1-3H3,(H,8,9).
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]propanoic acid?
3-[(2-methylpropan-2-yl)oxy]propanoic acid has a molecular weight of 146.19 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]propanoic acid is sourced from PubChem (CID 2760949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).