3-[2-(2-ethoxyethoxy)propanoylamino]-2-methyl-3-phenylpropanoic acid

C17H25NO5 — CID 119219180

IUPAC3-[2-(2-ethoxyethoxy)propanoylamino]-2-methyl-3-phenylpropanoic acid
SMILESCCOCCOC(C)C(=O)NC(c1ccccc1)C(C)C(=O)O
InChIInChI=1S/C17H25NO5/c1-4-22-10-11-23-13(3)16(19)18-15(12(2)17(20)21)14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyALVPYEOJHIHIJL-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.01
Rot. Bonds10

About 3-[2-(2-ethoxyethoxy)propanoylamino]-2-methyl-3-phenylpropanoic acid

3-[2-(2-ethoxyethoxy)propanoylamino]-2-methyl-3-phenylpropanoic acid (PubChem CID 119219180) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-[2-(2-ethoxyethoxy)propanoylamino]-2-methyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[2-(2-ethoxyethoxy)propanoylamino]-2-methyl-3-phenylpropanoic acid
PubChem CID119219180
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Name3-[2-(2-ethoxyethoxy)propanoylamino]-2-methyl-3-phenylpropanoic acid
SMILESCCOCCOC(C)C(=O)NC(c1ccccc1)C(C)C(=O)O
InChIInChI=1S/C17H25NO5/c1-4-22-10-11-23-13(3)16(19)18-15(12(2)17(20)21)14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyALVPYEOJHIHIJL-UHFFFAOYSA-N
XLogP2.01
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-(2-ethoxyethoxy)propanoylamino]-2-methyl-3-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

2-methyl-3-[2-(3-methylbutoxy)propanoylamino]-3-phenylpropanoic acid
CID 119219105
2-methyl-3-phenyl-3-(2-phenylpropanoylamino)propanoic acid
CID 120686881
2-methyl-3-[(2-pentoxyacetyl)amino]-3-phenylpropanoic acid
CID 119218636
ethyl (2S,3S)-3-acetamido-2-methyl-3-phenylpropanoate
CID 70863317
(2S)-N-cyclopropyl-2-[[(2S)-2-(2-ethoxyethoxy)propanoyl]amino]-3-phenylpropanamide
CID 95159522
(2R)-2-(2-ethoxyethoxy)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
CID 94823273
2-ethoxy-N-(2-hydroxy-1-phenylethyl)propanamide
CID 139898378
2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172850156
N-(2-tert-butylphenyl)-2-(2-ethoxyethoxy)propanamide
CID 60546063
2-methyl-3-phenyl-3-(3-phenylbutanoylamino)propanoic acid
CID 119218736
(2S)-2-(2-ethoxyethoxy)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]propanamide
CID 95777260
2-ethoxyethyl 2-amino-2-phenylacetate
CID 61278418

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethoxyethoxy)propanoylamino]-2-methyl-3-phenylpropanoic acid?
The IUPAC name of 3-[2-(2-ethoxyethoxy)propanoylamino]-2-methyl-3-phenylpropanoic acid (CID 119219180) is 3-[2-(2-ethoxyethoxy)propanoylamino]-2-methyl-3-phenylpropanoic acid.
What is the SMILES notation for 3-[2-(2-ethoxyethoxy)propanoylamino]-2-methyl-3-phenylpropanoic acid?
The canonical SMILES for 3-[2-(2-ethoxyethoxy)propanoylamino]-2-methyl-3-phenylpropanoic acid is CCOCCOC(C)C(=O)NC(c1ccccc1)C(C)C(=O)O.
What is the InChIKey of 3-[2-(2-ethoxyethoxy)propanoylamino]-2-methyl-3-phenylpropanoic acid?
The InChIKey is ALVPYEOJHIHIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-4-22-10-11-23-13(3)16(19)18-15(12(2)17(20)21)14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 3-[2-(2-ethoxyethoxy)propanoylamino]-2-methyl-3-phenylpropanoic acid?
3-[2-(2-ethoxyethoxy)propanoylamino]-2-methyl-3-phenylpropanoic acid has a molecular weight of 323.39 g/mol, XLogP of 2.01, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethoxyethoxy)propanoylamino]-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 119219180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).