4-amino-2-[butan-2-yl(2-methoxyethyl)amino]butanoic acid

C11H24N2O3 — CID 64693788

IUPAC4-amino-2-[butan-2-yl(2-methoxyethyl)amino]butanoic acid
SMILESCCC(C)N(CCOC)C(CCN)C(=O)O
InChIInChI=1S/C11H24N2O3/c1-4-9(2)13(7-8-16-3)10(5-6-12)11(14)15/h9-10H,4-8,12H2,1-3H3,(H,14,15)
InChIKeyZWRVHHCZHKGRDQ-UHFFFAOYSA-N
MW232.32 g/mol
LogP0.54
Rot. Bonds9

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

4-amino-2-[butan-2-yl(2-methoxyethyl)amino]butanoic acid (PubChem CID 64693788) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-amino-2-[butan-2-yl(2-methoxyethyl)amino]butanoic acid.

Molecular Properties

Compound Name4-amino-2-[butan-2-yl(2-methoxyethyl)amino]butanoic acid
PubChem CID64693788
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name4-amino-2-[butan-2-yl(2-methoxyethyl)amino]butanoic acid
SMILESCCC(C)N(CCOC)C(CCN)C(=O)O
InChIInChI=1S/C11H24N2O3/c1-4-9(2)13(7-8-16-3)10(5-6-12)11(14)15/h9-10H,4-8,12H2,1-3H3,(H,14,15)
InChIKeyZWRVHHCZHKGRDQ-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-[2-methoxyethyl(pentan-3-yl)amino]butanoic acid
CID 64694411
ethyl 2-[butan-2-yl(2-methoxyethyl)amino]pentanoate
CID 83041497
3-amino-2-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
CID 104710921
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-methylbutanoic acid
CID 55004791
tert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate
CID 64688775
3-amino-2-[1-cyclopropylethyl(2-methoxyethyl)amino]propanoic acid
CID 64694814
3-[butan-2-yl(2-methoxyethyl)amino]-2-methylbutanehydrazide
CID 79408378
4-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbutanamide
CID 80542973
4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide
CID 66428258
2-[4-methoxybutan-2-yl(2-methoxyethyl)amino]acetic acid
CID 65067403
tert-butyl N-[4-amino-3-[butan-2-yl(2-methoxyethyl)amino]butyl]carbamate
CID 102729842
2-(dipropylamino)-4-methoxybutanoic acid
CID 79694443

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[butan-2-yl(2-methoxyethyl)amino]butanoic acid?
The IUPAC name of 4-amino-2-[butan-2-yl(2-methoxyethyl)amino]butanoic acid (CID 64693788) is 4-amino-2-[butan-2-yl(2-methoxyethyl)amino]butanoic acid.
What is the SMILES notation for 4-amino-2-[butan-2-yl(2-methoxyethyl)amino]butanoic acid?
The canonical SMILES for 4-amino-2-[butan-2-yl(2-methoxyethyl)amino]butanoic acid is CCC(C)N(CCOC)C(CCN)C(=O)O.
What is the InChIKey of 4-amino-2-[butan-2-yl(2-methoxyethyl)amino]butanoic acid?
The InChIKey is ZWRVHHCZHKGRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-4-9(2)13(7-8-16-3)10(5-6-12)11(14)15/h9-10H,4-8,12H2,1-3H3,(H,14,15).
What are the key properties of 4-amino-2-[butan-2-yl(2-methoxyethyl)amino]butanoic acid?
4-amino-2-[butan-2-yl(2-methoxyethyl)amino]butanoic acid has a molecular weight of 232.32 g/mol, XLogP of 0.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[butan-2-yl(2-methoxyethyl)amino]butanoic acid is sourced from PubChem (CID 64693788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).