3-ethoxybutanoic acid

C6H12O3 — CID 20508399

IUPAC3-ethoxybutanoic acid
SMILESCCOC(C)CC(=O)O
InChIInChI=1S/C6H12O3/c1-3-9-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKeyOPXOAENGHZNGBT-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.89
Rot. Bonds4

About 3-ethoxybutanoic acid

3-ethoxybutanoic acid (PubChem CID 20508399) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 3-ethoxybutanoic acid.

Molecular Properties

Compound Name3-ethoxybutanoic acid
PubChem CID20508399
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name3-ethoxybutanoic acid
SMILESCCOC(C)CC(=O)O
InChIInChI=1S/C6H12O3/c1-3-9-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKeyOPXOAENGHZNGBT-UHFFFAOYSA-N
XLogP0.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid
CID 139938687
(3R)-3-(methoxymethoxy)butanoic acid
CID 10487007
3-(2-aminoethoxy)butanoic acid
CID 146218165
3-hexoxybutanoic acid
CID 43536148
(3S)-3-methoxybutanoic acid
CID 51374275
(2R)-2-ethoxybutanedioic acid
CID 101245963
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoic acid
CID 146502180
carbonic acid;1,1-diethoxyethane
CID 87827362
(2S)-2-(2-ethoxypropoxy)propanoic acid
CID 151300849
2-ethoxybutanedioic acid;propane-1,2-diol
CID 87565430
(2S,4R)-2-amino-4-ethoxypentanoic acid
CID 87418096
3-carbonofluoridoyloxybutanoic acid
CID 130374957

Frequently Asked Questions

What is the IUPAC name of 3-ethoxybutanoic acid?
The IUPAC name of 3-ethoxybutanoic acid (CID 20508399) is 3-ethoxybutanoic acid.
What is the SMILES notation for 3-ethoxybutanoic acid?
The canonical SMILES for 3-ethoxybutanoic acid is CCOC(C)CC(=O)O.
What is the InChIKey of 3-ethoxybutanoic acid?
The InChIKey is OPXOAENGHZNGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-3-9-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8).
What are the key properties of 3-ethoxybutanoic acid?
3-ethoxybutanoic acid has a molecular weight of 132.16 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxybutanoic acid is sourced from PubChem (CID 20508399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).