(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid

C9H18O5 — CID 87267502

IUPAC(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid
SMILESCOCCOCCOC[C@H](C)C(=O)O
InChIInChI=1S/C9H18O5/c1-8(9(10)11)7-14-6-5-13-4-3-12-2/h8H,3-7H2,1-2H3,(H,10,11)/t8-/m0/s1
InChIKeyIEVKBJWWIATDRD-QMMMGPOBSA-N
MW206.24 g/mol
LogP0.39
Rot. Bonds9

About (2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid

(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid (PubChem CID 87267502) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid
PubChem CID87267502
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid
SMILESCOCCOCCOC[C@H](C)C(=O)O
InChIInChI=1S/C9H18O5/c1-8(9(10)11)7-14-6-5-13-4-3-12-2/h8H,3-7H2,1-2H3,(H,10,11)/t8-/m0/s1
InChIKeyIEVKBJWWIATDRD-QMMMGPOBSA-N
XLogP0.39
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic 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

3-(2-butoxyethoxy)-2-methylpropanoic acid
CID 43537971
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid
CID 104565015
(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoate
CID 140579321
2-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]propanoic acid
CID 104565225
ethyl 3-(2-methoxyethoxy)-2-methylpropanoate
CID 114997793
2-amino-3-(2-methoxyethoxy)propanoic acid
CID 20596399
azane;4-methoxy-2-methylbutanoic acid
CID 174560200
(3S)-3-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-2-one
CID 59672514
2-hydroxypropanoic acid;2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 86606251
(2R)-3-[2-(2-methoxyethoxy)ethoxycarbonylsulfanyl]-2-methylpropanoic acid
CID 87267507
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane-1,1-diol
CID 87208063
ethyl 3-[2-(2-methoxyethoxy)ethoxy]-2-(propan-2-ylamino)propanoate
CID 113427286

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid?
The IUPAC name of (2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid (CID 87267502) is (2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid.
What is the SMILES notation for (2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid?
The canonical SMILES for (2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid is COCCOCCOC[C@H](C)C(=O)O.
What is the InChIKey of (2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid?
The InChIKey is IEVKBJWWIATDRD-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18O5/c1-8(9(10)11)7-14-6-5-13-4-3-12-2/h8H,3-7H2,1-2H3,(H,10,11)/t8-/m0/s1.
What are the key properties of (2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid?
(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid has a molecular weight of 206.24 g/mol, XLogP of 0.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid is sourced from PubChem (CID 87267502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).