2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoic acid

C11H24N2O3 — CID 63055687

IUPAC2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoic acid
SMILESCOCCN(CCC(N)C(=O)O)CC(C)C
InChIInChI=1S/C11H24N2O3/c1-9(2)8-13(6-7-16-3)5-4-10(12)11(14)15/h9-10H,4-8,12H2,1-3H3,(H,14,15)
InChIKeyARPQMVQACHTPQY-UHFFFAOYSA-N
MW232.32 g/mol
LogP0.39
Rot. Bonds9

About 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoic acid

2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoic acid (PubChem CID 63055687) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoic acid
PubChem CID63055687
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoic acid
SMILESCOCCN(CCC(N)C(=O)O)CC(C)C
InChIInChI=1S/C11H24N2O3/c1-9(2)8-13(6-7-16-3)5-4-10(12)11(14)15/h9-10H,4-8,12H2,1-3H3,(H,14,15)
InChIKeyARPQMVQACHTPQY-UHFFFAOYSA-N
XLogP0.39
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoate
CID 63053393
2-amino-4-[bis(2-methoxyethyl)amino]butanamide
CID 63053778
3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid
CID 61418249
1-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butan-2-ol
CID 64822021
N'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 81079086
2-amino-4-[methyl(2-methylpropyl)amino]butanoic acid
CID 63028227
2-amino-4-[ethyl(2-methoxyethyl)amino]butanamide
CID 63054468
1-[2-methoxyethyl(2-methylpropyl)amino]-4,4-dimethylpentan-3-ol
CID 62624635
2-amino-5-methoxypentanoic acid
CID 18361135
2-(cyclopropylamino)-4-[2-methoxyethyl(2-methylpropyl)amino]butanamide
CID 63055154
2-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
CID 62473959
2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]butanamide
CID 63055708

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoic acid?
The IUPAC name of 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoic acid (CID 63055687) is 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoic acid.
What is the SMILES notation for 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoic acid?
The canonical SMILES for 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoic acid is COCCN(CCC(N)C(=O)O)CC(C)C.
What is the InChIKey of 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoic acid?
The InChIKey is ARPQMVQACHTPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-9(2)8-13(6-7-16-3)5-4-10(12)11(14)15/h9-10H,4-8,12H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoic acid?
2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoic acid has a molecular weight of 232.32 g/mol, XLogP of 0.39, 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-methoxyethyl(2-methylpropyl)amino]butanoic acid is sourced from PubChem (CID 63055687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).