3-methoxy-2-(2-propan-2-yloxyethoxy)propanoic acid

C9H18O5 — CID 103223987

IUPAC3-methoxy-2-(2-propan-2-yloxyethoxy)propanoic acid
SMILESCOCC(OCCOC(C)C)C(=O)O
InChIInChI=1S/C9H18O5/c1-7(2)13-4-5-14-8(6-12-3)9(10)11/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyUFROHBUSQHMABM-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.53
Rot. Bonds8

About 3-methoxy-2-(2-propan-2-yloxyethoxy)propanoic acid

3-methoxy-2-(2-propan-2-yloxyethoxy)propanoic acid (PubChem CID 103223987) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-methoxy-2-(2-propan-2-yloxyethoxy)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(2-propan-2-yloxyethoxy)propanoic acid
PubChem CID103223987
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name3-methoxy-2-(2-propan-2-yloxyethoxy)propanoic acid
SMILESCOCC(OCCOC(C)C)C(=O)O
InChIInChI=1S/C9H18O5/c1-7(2)13-4-5-14-8(6-12-3)9(10)11/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyUFROHBUSQHMABM-UHFFFAOYSA-N
XLogP0.53
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethoxy)-3-methoxypropanoic acid
CID 168724097
(2R)-2-aminooxy-3-methoxypropanoic acid
CID 124680851
2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 18318696
3-methoxy-2-(2-propan-2-yloxyethylamino)propanoic acid
CID 103266484
2-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106446603
2-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid
CID 63072762
3-butan-2-yloxy-2-ethoxypropanoic acid
CID 63074689
2-[(4-bromophenyl)methoxy]-3-methoxypropanoic acid
CID 103224152
2-(2-methoxyethoxy)-3-phenylpropanoic acid
CID 10176890
2-propan-2-yloxyethyl 3-amino-2-methoxypropanoate
CID 106109479
3-methoxy-2-(2-methylbutan-2-yloxy)propanoic acid
CID 103224006
4-methoxy-2,3-dimethylbutanoic acid
CID 79418013

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-propan-2-yloxyethoxy)propanoic acid?
The IUPAC name of 3-methoxy-2-(2-propan-2-yloxyethoxy)propanoic acid (CID 103223987) is 3-methoxy-2-(2-propan-2-yloxyethoxy)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(2-propan-2-yloxyethoxy)propanoic acid?
The canonical SMILES for 3-methoxy-2-(2-propan-2-yloxyethoxy)propanoic acid is COCC(OCCOC(C)C)C(=O)O.
What is the InChIKey of 3-methoxy-2-(2-propan-2-yloxyethoxy)propanoic acid?
The InChIKey is UFROHBUSQHMABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5/c1-7(2)13-4-5-14-8(6-12-3)9(10)11/h7-8H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 3-methoxy-2-(2-propan-2-yloxyethoxy)propanoic acid?
3-methoxy-2-(2-propan-2-yloxyethoxy)propanoic acid has a molecular weight of 206.24 g/mol, XLogP of 0.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-propan-2-yloxyethoxy)propanoic acid is sourced from PubChem (CID 103223987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).