2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid

C15H24N2O3 — CID 65486323

IUPAC2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid
SMILESCOc1ccccc1CC(C)N(C)CCC(N)C(=O)O
InChIInChI=1S/C15H24N2O3/c1-11(17(2)9-8-13(16)15(18)19)10-12-6-4-5-7-14(12)20-3/h4-7,11,13H,8-10,16H2,1-3H3,(H,18,19)
InChIKeyQAUZNOZUSLNAEB-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.36
Rot. Bonds8

About 2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid

2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid (PubChem CID 65486323) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid
PubChem CID65486323
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid
SMILESCOc1ccccc1CC(C)N(C)CCC(N)C(=O)O
InChIInChI=1S/C15H24N2O3/c1-11(17(2)9-8-13(16)15(18)19)10-12-6-4-5-7-14(12)20-3/h4-7,11,13H,8-10,16H2,1-3H3,(H,18,19)
InChIKeyQAUZNOZUSLNAEB-UHFFFAOYSA-N
XLogP1.36
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid
CID 65487917
5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol
CID 65486301
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,4-dimethylpentanamide
CID 65488585
4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol
CID 79361996
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine
CID 65487594
(2R)-2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-4-methylsulfanylbutanamide
CID 104908627
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide
CID 65486697
methyl 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-(methylamino)propanoate
CID 65486136
3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanenitrile
CID 65487029
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
(2R)-2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,3,3-trimethylbutanamide
CID 103930088
N'-hydroxy-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide
CID 77070449

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid?
The IUPAC name of 2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid (CID 65486323) is 2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid.
What is the SMILES notation for 2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid?
The canonical SMILES for 2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid is COc1ccccc1CC(C)N(C)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid?
The InChIKey is QAUZNOZUSLNAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(17(2)9-8-13(16)15(18)19)10-12-6-4-5-7-14(12)20-3/h4-7,11,13H,8-10,16H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid?
2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid has a molecular weight of 280.37 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid is sourced from PubChem (CID 65486323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).