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

C15H24N2O3 — CID 65487917

IUPAC4-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid
SMILESCOc1ccccc1CC(C)N(C)C(CCN)C(=O)O
InChIInChI=1S/C15H24N2O3/c1-11(17(2)13(8-9-16)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)
InChIKeyCLXOAHUXXHAQCA-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.36
Rot. Bonds8

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

4-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid (PubChem CID 65487917) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid.

Molecular Properties

Compound Name4-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid
PubChem CID65487917
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid
SMILESCOc1ccccc1CC(C)N(C)C(CCN)C(=O)O
InChIInChI=1S/C15H24N2O3/c1-11(17(2)13(8-9-16)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)
InChIKeyCLXOAHUXXHAQCA-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

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

ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate
CID 65486472
2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid
CID 65486323
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanehydrazide
CID 65486572
3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol
CID 104711070
2-[benzoyl(methyl)amino]-3-(2-methoxyphenyl)propanoic acid
CID 102571645
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide
CID 65488377
3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368
N-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 55033188
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide
CID 65486697
3-(aminomethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpentanamide
CID 81084373

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid?
The IUPAC name of 4-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid (CID 65487917) is 4-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid.
What is the SMILES notation for 4-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid?
The canonical SMILES for 4-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid is COc1ccccc1CC(C)N(C)C(CCN)C(=O)O.
What is the InChIKey of 4-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid?
The InChIKey is CLXOAHUXXHAQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(17(2)13(8-9-16)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 4-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid?
4-amino-2-[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 4-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid is sourced from PubChem (CID 65487917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).