2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid

C9H16O6 — CID 103973267

IUPAC2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid
SMILESCOCCOCCC(C(=O)O)C(=O)OC
InChIInChI=1S/C9H16O6/c1-13-5-6-15-4-3-7(8(10)11)9(12)14-2/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyDPUPQHQBYMHIQX-UHFFFAOYSA-N
MW220.22 g/mol
LogP-0.09
Rot. Bonds8

About 2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid

2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid (PubChem CID 103973267) has the molecular formula C9H16O6 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid.

Molecular Properties

Compound Name2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid
PubChem CID103973267
Molecular FormulaC9H16O6
Molecular Weight220.22 g/mol
Exact Mass220.09
IUPAC Name2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid
SMILESCOCCOCCC(C(=O)O)C(=O)OC
InChIInChI=1S/C9H16O6/c1-13-5-6-15-4-3-7(8(10)11)9(12)14-2/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyDPUPQHQBYMHIQX-UHFFFAOYSA-N
XLogP-0.09
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905
dipropan-2-yl 2-[2-(2-methoxyethoxy)ethyl]propanedioate
CID 103972664
2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid
CID 103404603
5-ethoxy-2-methoxycarbonylpentanoic acid
CID 103973323
4-bromo-2-methoxycarbonylbutanoic acid
CID 84725637
2-[2-(2-methoxyethoxy)ethyl]butanedioic acid
CID 174998177
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid
CID 175405425
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87539702
2-(2-methoxyethoxy)-3-[2-(2-methoxyethoxy)ethoxy]butanedioic acid
CID 90913494
4-hydroxy-5-methoxy-2-methoxycarbonylpentanoic acid
CID 103973372
methyl 2-bromo-3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 104559740
4-(2-methoxyethoxy)butan-2-ol
CID 21045149

Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid?
The IUPAC name of 2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid (CID 103973267) is 2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid.
What is the SMILES notation for 2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid?
The canonical SMILES for 2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid is COCCOCCC(C(=O)O)C(=O)OC.
What is the InChIKey of 2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid?
The InChIKey is DPUPQHQBYMHIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O6/c1-13-5-6-15-4-3-7(8(10)11)9(12)14-2/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid?
2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid has a molecular weight of 220.22 g/mol, XLogP of -0.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid is sourced from PubChem (CID 103973267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).