3-[2-methoxyethyl(phenacyl)amino]-2-methylpropanoic acid

C15H21NO4 — CID 82329885

IUPAC3-[2-methoxyethyl(phenacyl)amino]-2-methylpropanoic acid
SMILESCOCCN(CC(=O)c1ccccc1)CC(C)C(=O)O
InChIInChI=1S/C15H21NO4/c1-12(15(18)19)10-16(8-9-20-2)11-14(17)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,18,19)
InChIKeyOKUNQPXUMXCYNM-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.54
Rot. Bonds9

About 3-[2-methoxyethyl(phenacyl)amino]-2-methylpropanoic acid

3-[2-methoxyethyl(phenacyl)amino]-2-methylpropanoic acid (PubChem CID 82329885) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[2-methoxyethyl(phenacyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-methoxyethyl(phenacyl)amino]-2-methylpropanoic acid
PubChem CID82329885
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-[2-methoxyethyl(phenacyl)amino]-2-methylpropanoic acid
SMILESCOCCN(CC(=O)c1ccccc1)CC(C)C(=O)O
InChIInChI=1S/C15H21NO4/c1-12(15(18)19)10-16(8-9-20-2)11-14(17)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,18,19)
InChIKeyOKUNQPXUMXCYNM-UHFFFAOYSA-N
XLogP1.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(2-methoxyethyl)amino]-1-phenylethanone
CID 60649797
3-[2-hydroxyethyl(phenacyl)amino]-2-methylpropanoic acid
CID 82329874
3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid
CID 61418249
3-[2-methoxyethyl(2-oxopropyl)amino]-2-methylpropanoic acid
CID 82329181
3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one
CID 62612759
1-(4-chlorophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanone
CID 54986707
3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid
CID 82327474
2-[2-methoxyethyl(propan-2-yl)amino]-1-phenylpropan-1-one
CID 82952096
3-[ethyl(4-methoxybutyl)amino]-2-methylpropanoic acid
CID 104648447
3-methoxy-1-phenylpropan-1-one
CID 10942788
2-[ethyl(2-methoxyethyl)amino]-1-(3-fluorophenyl)ethanone
CID 54949360
2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 61446317

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(phenacyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-methoxyethyl(phenacyl)amino]-2-methylpropanoic acid (CID 82329885) is 3-[2-methoxyethyl(phenacyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-methoxyethyl(phenacyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-methoxyethyl(phenacyl)amino]-2-methylpropanoic acid is COCCN(CC(=O)c1ccccc1)CC(C)C(=O)O.
What is the InChIKey of 3-[2-methoxyethyl(phenacyl)amino]-2-methylpropanoic acid?
The InChIKey is OKUNQPXUMXCYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-12(15(18)19)10-16(8-9-20-2)11-14(17)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,18,19).
What are the key properties of 3-[2-methoxyethyl(phenacyl)amino]-2-methylpropanoic acid?
3-[2-methoxyethyl(phenacyl)amino]-2-methylpropanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(phenacyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82329885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).