2-[2-acetamidoethyl-[(5-phenoxyfuran-2-yl)methyl]amino]propanoic acid

C18H22N2O5 — CID 122039391

IUPAC2-[2-acetamidoethyl-[(5-phenoxyfuran-2-yl)methyl]amino]propanoic acid
SMILESCC(=O)NCCN(Cc1ccc(Oc2ccccc2)o1)C(C)C(=O)O
InChIInChI=1S/C18H22N2O5/c1-13(18(22)23)20(11-10-19-14(2)21)12-16-8-9-17(25-16)24-15-6-4-3-5-7-15/h3-9,13H,10-12H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyZAYWXAQKTDPVHU-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.48
Rot. Bonds9

About 2-[2-acetamidoethyl-[(5-phenoxyfuran-2-yl)methyl]amino]propanoic acid

2-[2-acetamidoethyl-[(5-phenoxyfuran-2-yl)methyl]amino]propanoic acid (PubChem CID 122039391) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-[2-acetamidoethyl-[(5-phenoxyfuran-2-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[2-acetamidoethyl-[(5-phenoxyfuran-2-yl)methyl]amino]propanoic acid
PubChem CID122039391
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name2-[2-acetamidoethyl-[(5-phenoxyfuran-2-yl)methyl]amino]propanoic acid
SMILESCC(=O)NCCN(Cc1ccc(Oc2ccccc2)o1)C(C)C(=O)O
InChIInChI=1S/C18H22N2O5/c1-13(18(22)23)20(11-10-19-14(2)21)12-16-8-9-17(25-16)24-15-6-4-3-5-7-15/h3-9,13H,10-12H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyZAYWXAQKTDPVHU-UHFFFAOYSA-N
XLogP2.48
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-acetamidoethyl-[(5-phenoxyfuran-2-yl)methyl]amino]propanoic 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

2-[2-acetamidoethyl(1-benzothiophen-2-ylmethyl)amino]propanoic acid
CID 122039139
2-[2-acetamidoethyl-[(3-bromo-2-fluorophenyl)methyl]amino]propanoic acid
CID 122039207
2-[2-acetamidoethyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid
CID 122120451
2-[2-acetamidoethyl-[(5-fluoro-2-methylphenyl)methyl]amino]propanoic acid
CID 122039389
2-[2-acetamidoethyl-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]amino]propanoic acid
CID 122039264
2-[2-acetamidoethyl-[(2-bromo-4-chlorophenyl)methyl]amino]propanoic acid
CID 122039148
2-[2-acetamidoethyl-[(2-bromo-4-fluorophenyl)methyl]amino]propanoic acid
CID 122039140
2-[2-acetamidoethyl-[(3-bromo-4-chlorophenyl)methyl]amino]propanoic acid
CID 122039395
2-[2-acetamidoethyl-[(4-bromo-2-methylsulfanylphenyl)methyl]amino]propanoic acid
CID 122039411
2-[2-acetamidoethyl-[3-(2-methylsulfanylanilino)-3-oxopropyl]amino]propanoic acid
CID 122120506
2-[2-acetamidoethyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]propanoic acid
CID 122120526
2-[2-acetamidoethyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 122120620

Frequently Asked Questions

What is the IUPAC name of 2-[2-acetamidoethyl-[(5-phenoxyfuran-2-yl)methyl]amino]propanoic acid?
The IUPAC name of 2-[2-acetamidoethyl-[(5-phenoxyfuran-2-yl)methyl]amino]propanoic acid (CID 122039391) is 2-[2-acetamidoethyl-[(5-phenoxyfuran-2-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-[2-acetamidoethyl-[(5-phenoxyfuran-2-yl)methyl]amino]propanoic acid?
The canonical SMILES for 2-[2-acetamidoethyl-[(5-phenoxyfuran-2-yl)methyl]amino]propanoic acid is CC(=O)NCCN(Cc1ccc(Oc2ccccc2)o1)C(C)C(=O)O.
What is the InChIKey of 2-[2-acetamidoethyl-[(5-phenoxyfuran-2-yl)methyl]amino]propanoic acid?
The InChIKey is ZAYWXAQKTDPVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-13(18(22)23)20(11-10-19-14(2)21)12-16-8-9-17(25-16)24-15-6-4-3-5-7-15/h3-9,13H,10-12H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 2-[2-acetamidoethyl-[(5-phenoxyfuran-2-yl)methyl]amino]propanoic acid?
2-[2-acetamidoethyl-[(5-phenoxyfuran-2-yl)methyl]amino]propanoic acid has a molecular weight of 346.38 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetamidoethyl-[(5-phenoxyfuran-2-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 122039391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).