2-methyl-3-(oxolan-3-ylmethoxy)propanoic acid

C9H16O4 — CID 114995904

IUPAC2-methyl-3-(oxolan-3-ylmethoxy)propanoic acid
SMILESCC(COCC1CCOC1)C(=O)O
InChIInChI=1S/C9H16O4/c1-7(9(10)11)4-13-6-8-2-3-12-5-8/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyMBEXMFXPFISUDK-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.76
Rot. Bonds5

About 2-methyl-3-(oxolan-3-ylmethoxy)propanoic acid

2-methyl-3-(oxolan-3-ylmethoxy)propanoic acid (PubChem CID 114995904) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-methyl-3-(oxolan-3-ylmethoxy)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(oxolan-3-ylmethoxy)propanoic acid
PubChem CID114995904
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-methyl-3-(oxolan-3-ylmethoxy)propanoic acid
SMILESCC(COCC1CCOC1)C(=O)O
InChIInChI=1S/C9H16O4/c1-7(9(10)11)4-13-6-8-2-3-12-5-8/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyMBEXMFXPFISUDK-UHFFFAOYSA-N
XLogP0.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-(oxolan-3-ylmethoxy)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

Related Compounds

ethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate
CID 115001681
2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid
CID 134207969
1-(oxolan-3-ylmethoxy)butan-2-ol
CID 62040870
3-[2-(bromomethyl)butoxymethyl]oxolane
CID 64995288
4-(oxolan-3-ylmethoxy)but-2-enoic acid
CID 76941062
oxolan-3-ylmethyl 5-amino-2-methylpentanoate
CID 104686029
oxolan-3-ylmethyl 6-amino-2-methylheptanoate
CID 65284885
N-methyl-1-(oxolan-3-yl)-2-(oxolan-3-ylmethoxy)ethanamine
CID 104749257
1-cyclopentyl-N-methyl-2-(oxolan-3-ylmethoxy)ethanamine
CID 104749258
2-methyl-3-[(3S)-oxolan-3-yl]propanamide
CID 162453240
2-(oxan-4-ylmethoxy)propanoic acid
CID 62384175
2-(oxolan-3-ylmethoxy)acetohydrazide
CID 63570032

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxolan-3-ylmethoxy)propanoic acid?
The IUPAC name of 2-methyl-3-(oxolan-3-ylmethoxy)propanoic acid (CID 114995904) is 2-methyl-3-(oxolan-3-ylmethoxy)propanoic acid.
What is the SMILES notation for 2-methyl-3-(oxolan-3-ylmethoxy)propanoic acid?
The canonical SMILES for 2-methyl-3-(oxolan-3-ylmethoxy)propanoic acid is CC(COCC1CCOC1)C(=O)O.
What is the InChIKey of 2-methyl-3-(oxolan-3-ylmethoxy)propanoic acid?
The InChIKey is MBEXMFXPFISUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-7(9(10)11)4-13-6-8-2-3-12-5-8/h7-8H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-methyl-3-(oxolan-3-ylmethoxy)propanoic acid?
2-methyl-3-(oxolan-3-ylmethoxy)propanoic acid has a molecular weight of 188.22 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxolan-3-ylmethoxy)propanoic acid is sourced from PubChem (CID 114995904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).