2-ethoxy-3-propoxypropanoic acid

C8H16O4 — CID 63074501

IUPAC2-ethoxy-3-propoxypropanoic acid
SMILESCCCOCC(OCC)C(=O)O
InChIInChI=1S/C8H16O4/c1-3-5-11-6-7(8(9)10)12-4-2/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyRBGSBMHLBWRUEX-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.90
Rot. Bonds7

About 2-ethoxy-3-propoxypropanoic acid

2-ethoxy-3-propoxypropanoic acid (PubChem CID 63074501) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-ethoxy-3-propoxypropanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-propoxypropanoic acid
PubChem CID63074501
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2-ethoxy-3-propoxypropanoic acid
SMILESCCCOCC(OCC)C(=O)O
InChIInChI=1S/C8H16O4/c1-3-5-11-6-7(8(9)10)12-4-2/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyRBGSBMHLBWRUEX-UHFFFAOYSA-N
XLogP0.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-3-pentoxypropanoic acid
CID 63074511
2-ethoxy-4-(2-methylpropoxy)butanoic acid
CID 63074828
2-ethoxy-3-(4-propoxyphenoxy)propanoic acid
CID 63074316
3-butan-2-yloxy-2-ethoxypropanoic acid
CID 63074689
2-ethoxy-3-(2,2,3,3-tetrafluoropropoxy)propanoic acid
CID 63073619
2-ethoxy-3-(4-methylpentan-2-yloxy)propanoic acid
CID 63074300
2-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106446603
3-ethoxy-1-propoxypentan-2-one
CID 116707576
(2R)-2-ethoxybutanedioic acid
CID 101245963
(2S)-2-(methylamino)-3-propoxypropanoic acid
CID 142490785
3-hydroxy-2-propoxypropanoic acid
CID 87915368
2-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid
CID 63072762

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-propoxypropanoic acid?
The IUPAC name of 2-ethoxy-3-propoxypropanoic acid (CID 63074501) is 2-ethoxy-3-propoxypropanoic acid.
What is the SMILES notation for 2-ethoxy-3-propoxypropanoic acid?
The canonical SMILES for 2-ethoxy-3-propoxypropanoic acid is CCCOCC(OCC)C(=O)O.
What is the InChIKey of 2-ethoxy-3-propoxypropanoic acid?
The InChIKey is RBGSBMHLBWRUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-3-5-11-6-7(8(9)10)12-4-2/h7H,3-6H2,1-2H3,(H,9,10).
What are the key properties of 2-ethoxy-3-propoxypropanoic acid?
2-ethoxy-3-propoxypropanoic acid has a molecular weight of 176.21 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-propoxypropanoic acid is sourced from PubChem (CID 63074501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).