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

C10H21NO4 — CID 106450669

IUPAC4-amino-2-[2-(2-methylpropoxy)ethoxy]butanoic acid
SMILESCC(C)COCCOC(CCN)C(=O)O
InChIInChI=1S/C10H21NO4/c1-8(2)7-14-5-6-15-9(3-4-11)10(12)13/h8-9H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyWLYUXAUCBIMOFS-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.48
Rot. Bonds9

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

4-amino-2-[2-(2-methylpropoxy)ethoxy]butanoic acid (PubChem CID 106450669) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-amino-2-[2-(2-methylpropoxy)ethoxy]butanoic acid.

Molecular Properties

Compound Name4-amino-2-[2-(2-methylpropoxy)ethoxy]butanoic acid
PubChem CID106450669
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name4-amino-2-[2-(2-methylpropoxy)ethoxy]butanoic acid
SMILESCC(C)COCCOC(CCN)C(=O)O
InChIInChI=1S/C10H21NO4/c1-8(2)7-14-5-6-15-9(3-4-11)10(12)13/h8-9H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyWLYUXAUCBIMOFS-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'}

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Related Compounds

2-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106446603
2-ethoxy-4-(2-methylpropoxy)butanoic acid
CID 63074828
4-amino-2-[3-(2-methoxyethoxy)propoxy]butanoic acid
CID 103407397
2-(2-methylpropoxy)ethyl 4-amino-2-hydroxybutanoate
CID 107837699
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid
CID 175405425
2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106448971
(2S)-2-amino-4-(2-methylpropoxy)butanoic acid
CID 103942646
4-amino-2-(2,2-difluoroethoxy)butanoic acid
CID 82009326
2-(2-ethoxyethoxy)pentanoic acid
CID 83037428
(2R)-4-amino-2-methoxybutanoic acid
CID 124508923
2-(2-methylpropoxy)ethyl acetate
CID 520944
2-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid
CID 63072762

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(2-methylpropoxy)ethoxy]butanoic acid?
The IUPAC name of 4-amino-2-[2-(2-methylpropoxy)ethoxy]butanoic acid (CID 106450669) is 4-amino-2-[2-(2-methylpropoxy)ethoxy]butanoic acid.
What is the SMILES notation for 4-amino-2-[2-(2-methylpropoxy)ethoxy]butanoic acid?
The canonical SMILES for 4-amino-2-[2-(2-methylpropoxy)ethoxy]butanoic acid is CC(C)COCCOC(CCN)C(=O)O.
What is the InChIKey of 4-amino-2-[2-(2-methylpropoxy)ethoxy]butanoic acid?
The InChIKey is WLYUXAUCBIMOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-8(2)7-14-5-6-15-9(3-4-11)10(12)13/h8-9H,3-7,11H2,1-2H3,(H,12,13).
What are the key properties of 4-amino-2-[2-(2-methylpropoxy)ethoxy]butanoic acid?
4-amino-2-[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 4-amino-2-[2-(2-methylpropoxy)ethoxy]butanoic acid is sourced from PubChem (CID 106450669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).