3-[ethyl-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]amino]propanoic acid

C18H27NO4 — CID 119190845

IUPAC3-[ethyl-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)C(C)Oc1cc(C)ccc1C(C)C
InChIInChI=1S/C18H27NO4/c1-6-19(10-9-17(20)21)18(22)14(5)23-16-11-13(4)7-8-15(16)12(2)3/h7-8,11-12,14H,6,9-10H2,1-5H3,(H,20,21)
InChIKeyWGTZAYZXASBNSF-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.21
Rot. Bonds8

About 3-[ethyl-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]amino]propanoic acid

3-[ethyl-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]amino]propanoic acid (PubChem CID 119190845) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-[ethyl-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
PubChem CID119190845
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name3-[ethyl-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)C(C)Oc1cc(C)ccc1C(C)C
InChIInChI=1S/C18H27NO4/c1-6-19(10-9-17(20)21)18(22)14(5)23-16-11-13(4)7-8-15(16)12(2)3/h7-8,11-12,14H,6,9-10H2,1-5H3,(H,20,21)
InChIKeyWGTZAYZXASBNSF-UHFFFAOYSA-N
XLogP3.21
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[ethyl-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]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

N-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133162903
(2S)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-phenylpropanamide
CID 94840107
2-(5-methyl-2-propan-2-ylphenoxy)pentan-3-one
CID 64866513
2-(2,5-dimethylphenoxy)-N-ethyl-N-(4-hydroxybutyl)propanamide
CID 46997752
3-[ethyl-[2-[2-(trifluoromethyl)phenoxy]propanoyl]amino]propanoic acid
CID 119191521
2-[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]butanoic acid
CID 119223242
2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 47095241
2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide
CID 134038041
methyl 3-[ethyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate
CID 61006680
3-[2-(2-chloro-5-methylphenoxy)propanoyl-propan-2-ylamino]propanoic acid
CID 119207616
2-(5-methyl-2-propan-2-ylphenoxy)-N-piperidin-4-yl-N-propylpropanamide
CID 119825707
2-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N,N-dimethylpropanamide
CID 63640841

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]amino]propanoic acid (CID 119190845) is 3-[ethyl-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)C(C)Oc1cc(C)ccc1C(C)C.
What is the InChIKey of 3-[ethyl-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]amino]propanoic acid?
The InChIKey is WGTZAYZXASBNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-6-19(10-9-17(20)21)18(22)14(5)23-16-11-13(4)7-8-15(16)12(2)3/h7-8,11-12,14H,6,9-10H2,1-5H3,(H,20,21).
What are the key properties of 3-[ethyl-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]amino]propanoic acid?
3-[ethyl-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]amino]propanoic acid has a molecular weight of 321.42 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]amino]propanoic acid is sourced from PubChem (CID 119190845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).