3-[ethyl-[3-(4-methylphenoxy)propanoyl]amino]-2-methylpropanoic acid

C16H23NO4 — CID 62827385

IUPAC3-[ethyl-[3-(4-methylphenoxy)propanoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)CCOc1ccc(C)cc1
InChIInChI=1S/C16H23NO4/c1-4-17(11-13(3)16(19)20)15(18)9-10-21-14-7-5-12(2)6-8-14/h5-8,13H,4,9-11H2,1-3H3,(H,19,20)
InChIKeyVSQMPHOEIRXWJS-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.33
Rot. Bonds8

About 3-[ethyl-[3-(4-methylphenoxy)propanoyl]amino]-2-methylpropanoic acid

3-[ethyl-[3-(4-methylphenoxy)propanoyl]amino]-2-methylpropanoic acid (PubChem CID 62827385) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-[ethyl-[3-(4-methylphenoxy)propanoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[3-(4-methylphenoxy)propanoyl]amino]-2-methylpropanoic acid
PubChem CID62827385
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-[ethyl-[3-(4-methylphenoxy)propanoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)CCOc1ccc(C)cc1
InChIInChI=1S/C16H23NO4/c1-4-17(11-13(3)16(19)20)15(18)9-10-21-14-7-5-12(2)6-8-14/h5-8,13H,4,9-11H2,1-3H3,(H,19,20)
InChIKeyVSQMPHOEIRXWJS-UHFFFAOYSA-N
XLogP2.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[ethyl-[3-(4-methylphenoxy)propanoyl]amino]-2-methylpropanoic 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

3-[ethyl-[3-(4-fluorophenoxy)propanoyl]amino]-2-methylpropanoic acid
CID 62826123
2-methyl-3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid
CID 82325608
3-[butan-2-yl-[2-(4-methylphenoxy)ethyl]amino]-2-methylpropanoic acid
CID 82329442
N-(1-hydroxypropan-2-yl)-N-methyl-3-(4-methylphenoxy)propanamide
CID 112548211
3-[ethyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-2-methylpropanoic acid
CID 62826480
2-methyl-3-[(4-methylphenyl)methyl-pentanoylamino]propanoic acid
CID 82323566
2-methyl-3-[(4-methylphenyl)methyl-propanoylamino]propanoic acid
CID 82323323
3-[[2-(2-chloro-5-methylphenoxy)acetyl]-ethylamino]-2-methylpropanoic acid
CID 62826476
2-[methyl-[3-(4-methylphenoxy)propanoyl]amino]acetic acid
CID 43239733
3-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
CID 60731406
3-[ethyl-[1-(4-methylphenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62851777
N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 86916962

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[3-(4-methylphenoxy)propanoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[3-(4-methylphenoxy)propanoyl]amino]-2-methylpropanoic acid (CID 62827385) is 3-[ethyl-[3-(4-methylphenoxy)propanoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[3-(4-methylphenoxy)propanoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[3-(4-methylphenoxy)propanoyl]amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)CCOc1ccc(C)cc1.
What is the InChIKey of 3-[ethyl-[3-(4-methylphenoxy)propanoyl]amino]-2-methylpropanoic acid?
The InChIKey is VSQMPHOEIRXWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-17(11-13(3)16(19)20)15(18)9-10-21-14-7-5-12(2)6-8-14/h5-8,13H,4,9-11H2,1-3H3,(H,19,20).
What are the key properties of 3-[ethyl-[3-(4-methylphenoxy)propanoyl]amino]-2-methylpropanoic acid?
3-[ethyl-[3-(4-methylphenoxy)propanoyl]amino]-2-methylpropanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[3-(4-methylphenoxy)propanoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62827385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).