2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoic acid

C15H24N2O3 — CID 82960250

IUPAC2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoic acid
SMILESCOCCN(CC(N)(C(=O)O)c1ccccc1)C(C)C
InChIInChI=1S/C15H24N2O3/c1-12(2)17(9-10-20-3)11-15(16,14(18)19)13-7-5-4-6-8-13/h4-8,12H,9-11,16H2,1-3H3,(H,18,19)
InChIKeyHYBWGPWYBHKKIR-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.28
Rot. Bonds8

About 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoic acid

2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoic acid (PubChem CID 82960250) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoic acid
PubChem CID82960250
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoic acid
SMILESCOCCN(CC(N)(C(=O)O)c1ccccc1)C(C)C
InChIInChI=1S/C15H24N2O3/c1-12(2)17(9-10-20-3)11-15(16,14(18)19)13-7-5-4-6-8-13/h4-8,12H,9-11,16H2,1-3H3,(H,18,19)
InChIKeyHYBWGPWYBHKKIR-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoic 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

methyl 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoate
CID 82941864
3-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-phenylpropanal
CID 82952847
1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-phenylpropane-1,2-diamine
CID 62488443
2-amino-3-pentan-2-yloxy-2-phenylpropanoic acid
CID 102983991
methyl (2R)-2-amino-4-methyl-2-phenylpentanoate
CID 142371197
3-amino-N-(2-methoxyethyl)-3-phenyl-N-propan-2-ylpropanamide
CID 82949172
4-[2-methoxyethyl(propan-2-yl)amino]-3,3-dimethylbutan-2-ol
CID 82953026
3-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one
CID 63193802
2-[2-methoxyethyl(propan-2-yl)amino]-1-phenylpropan-1-one
CID 82952096
N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 82951855
2-amino-3-[3-(2-methoxyethoxy)propoxy]-2-phenylpropanamide
CID 103404950
2-amino-2-phenyl-3-sulfanylpropanoic acid
CID 22619315

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoic acid?
The IUPAC name of 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoic acid (CID 82960250) is 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoic acid is COCCN(CC(N)(C(=O)O)c1ccccc1)C(C)C.
What is the InChIKey of 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoic acid?
The InChIKey is HYBWGPWYBHKKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-12(2)17(9-10-20-3)11-15(16,14(18)19)13-7-5-4-6-8-13/h4-8,12H,9-11,16H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoic acid?
2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoic acid has a molecular weight of 280.37 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 82960250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).