2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid

C10H21NO4 — CID 106448971

IUPAC2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid
SMILESCC(C)COCCOCCC(N)C(=O)O
InChIInChI=1S/C10H21NO4/c1-8(2)7-15-6-5-14-4-3-9(11)10(12)13/h8-9H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyOHJKMNAWDQYQTM-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.48
Rot. Bonds9

About 2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid

2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid (PubChem CID 106448971) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid
PubChem CID106448971
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid
SMILESCC(C)COCCOCCC(N)C(=O)O
InChIInChI=1S/C10H21NO4/c1-8(2)7-15-6-5-14-4-3-9(11)10(12)13/h8-9H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyOHJKMNAWDQYQTM-UHFFFAOYSA-N
XLogP0.48
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic 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

(2S)-2-amino-4-(2-methylpropoxy)butanoic acid
CID 103942646
(2S)-2-amino-4-(3-methylbutoxy)butanoic acid
CID 106702741
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid
CID 175405425
(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905
2-amino-4-[2-(2-methylpropoxy)ethylsulfanyl]butanoic acid
CID 106453121
2-amino-4-(2-methylpentoxy)butanoic acid
CID 103284909
2-amino-4-(2-butoxyethoxy)butanoic acid
CID 63040016
2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid
CID 104563512
2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid
CID 103404603
2-amino-4-(3-oxobutoxy)butanoic acid
CID 146272358
2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
CID 177139504
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid?
The IUPAC name of 2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid (CID 106448971) is 2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid.
What is the SMILES notation for 2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid?
The canonical SMILES for 2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid is CC(C)COCCOCCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid?
The InChIKey is OHJKMNAWDQYQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-8(2)7-15-6-5-14-4-3-9(11)10(12)13/h8-9H,3-7,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid?
2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid has a molecular weight of 219.28 g/mol, XLogP of 0.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid is sourced from PubChem (CID 106448971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).