3-(2-methylpropoxy)propanoic acid

C7H14O3 — CID 15033462

IUPAC3-(2-methylpropoxy)propanoic acid
SMILESCC(C)COCCC(=O)O
InChIInChI=1S/C7H14O3/c1-6(2)5-10-4-3-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyQMMGWVCCHWHWEF-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.13
Rot. Bonds5

About 3-(2-methylpropoxy)propanoic acid

3-(2-methylpropoxy)propanoic acid (PubChem CID 15033462) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-(2-methylpropoxy)propanoic acid.

Molecular Properties

Compound Name3-(2-methylpropoxy)propanoic acid
PubChem CID15033462
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name3-(2-methylpropoxy)propanoic acid
SMILESCC(C)COCCC(=O)O
InChIInChI=1S/C7H14O3/c1-6(2)5-10-4-3-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyQMMGWVCCHWHWEF-UHFFFAOYSA-N
XLogP1.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid
CID 87457805
5-(2-methylpropoxy)pent-1-en-3-one
CID 161282003
3-(2-methylpropoxy)-N-propan-2-ylpropanamide
CID 134180338
acetic acid;2-methyl-1-(2-methylpropoxy)propane
CID 87879635
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid
CID 87458033
2-amino-3-(2-carboxyethoxy)propanoic acid
CID 138683261
3-(8-methylnonoxy)propanoic acid
CID 21270829
3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid
CID 163504647
[4-(2-methylpropoxy)-2-oxobutyl]phosphonic acid
CID 88782698
3-(2-methylpropoxy)-N-propan-2-ylpropanehydrazide
CID 139340946
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid
CID 175405425

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)propanoic acid?
The IUPAC name of 3-(2-methylpropoxy)propanoic acid (CID 15033462) is 3-(2-methylpropoxy)propanoic acid.
What is the SMILES notation for 3-(2-methylpropoxy)propanoic acid?
The canonical SMILES for 3-(2-methylpropoxy)propanoic acid is CC(C)COCCC(=O)O.
What is the InChIKey of 3-(2-methylpropoxy)propanoic acid?
The InChIKey is QMMGWVCCHWHWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-6(2)5-10-4-3-7(8)9/h6H,3-5H2,1-2H3,(H,8,9).
What are the key properties of 3-(2-methylpropoxy)propanoic acid?
3-(2-methylpropoxy)propanoic acid has a molecular weight of 146.19 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)propanoic acid is sourced from PubChem (CID 15033462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).