2-(3-methylbutoxy)propanoic acid

C8H16O3 — CID 24697559

IUPAC2-(3-methylbutoxy)propanoic acid
SMILESCC(C)CCOC(C)C(=O)O
InChIInChI=1S/C8H16O3/c1-6(2)4-5-11-7(3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)
InChIKeyVQNVWLSAOXQIGS-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.52
Rot. Bonds5

About 2-(3-methylbutoxy)propanoic acid

2-(3-methylbutoxy)propanoic acid (PubChem CID 24697559) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-(3-methylbutoxy)propanoic acid.

Molecular Properties

Compound Name2-(3-methylbutoxy)propanoic acid
PubChem CID24697559
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-(3-methylbutoxy)propanoic acid
SMILESCC(C)CCOC(C)C(=O)O
InChIInChI=1S/C8H16O3/c1-6(2)4-5-11-7(3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)
InChIKeyVQNVWLSAOXQIGS-UHFFFAOYSA-N
XLogP1.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-methylbutoxy)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)propanoic acid?
The IUPAC name of 2-(3-methylbutoxy)propanoic acid (CID 24697559) is 2-(3-methylbutoxy)propanoic acid.
What is the SMILES notation for 2-(3-methylbutoxy)propanoic acid?
The canonical SMILES for 2-(3-methylbutoxy)propanoic acid is CC(C)CCOC(C)C(=O)O.
What is the InChIKey of 2-(3-methylbutoxy)propanoic acid?
The InChIKey is VQNVWLSAOXQIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-6(2)4-5-11-7(3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 2-(3-methylbutoxy)propanoic acid?
2-(3-methylbutoxy)propanoic acid has a molecular weight of 160.21 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)propanoic acid is sourced from PubChem (CID 24697559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).