2-amino-3-(2-methoxyethoxy)propanoic acid

C6H13NO4 — CID 20596399

IUPAC2-amino-3-(2-methoxyethoxy)propanoic acid
SMILESCOCCOCC(N)C(=O)O
InChIInChI=1S/C6H13NO4/c1-10-2-3-11-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
InChIKeyZOMRDSPJEFYHEH-UHFFFAOYSA-N
MW163.17 g/mol
LogP-0.94
Rot. Bonds6

About 2-amino-3-(2-methoxyethoxy)propanoic acid

2-amino-3-(2-methoxyethoxy)propanoic acid (PubChem CID 20596399) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is 2-amino-3-(2-methoxyethoxy)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-methoxyethoxy)propanoic acid
PubChem CID20596399
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name2-amino-3-(2-methoxyethoxy)propanoic acid
SMILESCOCCOCC(N)C(=O)O
InChIInChI=1S/C6H13NO4/c1-10-2-3-11-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
InChIKeyZOMRDSPJEFYHEH-UHFFFAOYSA-N
XLogP-0.94
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-3-(2-methoxyethoxy)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

(3S)-3-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-2-one
CID 59672514
2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
CID 177139504
(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid
CID 118658592
(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905
(2S)-3-acetyloxy-2-aminopropanoic acid
CID 88545588
2-amino-3-(2-carboxyethoxy)propanoic acid
CID 138683261
2-amino-3-(3-aminopropoxy)propanoic acid
CID 18674791
2-amino-3-[3-(2-methoxyethoxy)propoxy]propanamide
CID 103400791
2-amino-3-decoxypropanoic acid
CID 134329186
2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid
CID 103404603
2-amino-5-methoxypentanoic acid
CID 18361135
(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid
CID 87267502

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methoxyethoxy)propanoic acid?
The IUPAC name of 2-amino-3-(2-methoxyethoxy)propanoic acid (CID 20596399) is 2-amino-3-(2-methoxyethoxy)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-methoxyethoxy)propanoic acid?
The canonical SMILES for 2-amino-3-(2-methoxyethoxy)propanoic acid is COCCOCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2-methoxyethoxy)propanoic acid?
The InChIKey is ZOMRDSPJEFYHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c1-10-2-3-11-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9).
What are the key properties of 2-amino-3-(2-methoxyethoxy)propanoic acid?
2-amino-3-(2-methoxyethoxy)propanoic acid has a molecular weight of 163.17 g/mol, XLogP of -0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methoxyethoxy)propanoic acid is sourced from PubChem (CID 20596399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).