3-[ethyl-[2-(3-methylphenoxy)acetyl]amino]propanoic acid

C14H19NO4 — CID 54899163

IUPAC3-[ethyl-[2-(3-methylphenoxy)acetyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)COc1cccc(C)c1
InChIInChI=1S/C14H19NO4/c1-3-15(8-7-14(17)18)13(16)10-19-12-6-4-5-11(2)9-12/h4-6,9H,3,7-8,10H2,1-2H3,(H,17,18)
InChIKeyJGBGVYOCOMISTA-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.70
Rot. Bonds7

About 3-[ethyl-[2-(3-methylphenoxy)acetyl]amino]propanoic acid

3-[ethyl-[2-(3-methylphenoxy)acetyl]amino]propanoic acid (PubChem CID 54899163) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[ethyl-[2-(3-methylphenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-(3-methylphenoxy)acetyl]amino]propanoic acid
PubChem CID54899163
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[ethyl-[2-(3-methylphenoxy)acetyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)COc1cccc(C)c1
InChIInChI=1S/C14H19NO4/c1-3-15(8-7-14(17)18)13(16)10-19-12-6-4-5-11(2)9-12/h4-6,9H,3,7-8,10H2,1-2H3,(H,17,18)
InChIKeyJGBGVYOCOMISTA-UHFFFAOYSA-N
XLogP1.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-(2-phenoxyacetyl)amino]propanoic acid
CID 61007797
4-[methyl-[2-(3-methylphenoxy)acetyl]amino]butanoic acid
CID 43240315
N,N-bis(2-methoxyethyl)-2-(3-methylphenoxy)acetamide
CID 78762157
2-[ethyl-[4-(3-methylphenoxy)butanoyl]amino]acetic acid
CID 61022486
2-[[2-(3-methylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265254
3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid
CID 82325601
N-(2,5-dihydrothiophen-2-ylmethyl)-N-ethyl-2-(3-methylphenoxy)acetamide
CID 163447099
2-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid
CID 79266699
5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
CID 4949760
2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 892170
3-[carboxymethyl-(2-phenoxyacetyl)amino]propanoic acid
CID 82325257
3-[[2-(3-bromophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119189919

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(3-methylphenoxy)acetyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[2-(3-methylphenoxy)acetyl]amino]propanoic acid (CID 54899163) is 3-[ethyl-[2-(3-methylphenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[2-(3-methylphenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[2-(3-methylphenoxy)acetyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)COc1cccc(C)c1.
What is the InChIKey of 3-[ethyl-[2-(3-methylphenoxy)acetyl]amino]propanoic acid?
The InChIKey is JGBGVYOCOMISTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-15(8-7-14(17)18)13(16)10-19-12-6-4-5-11(2)9-12/h4-6,9H,3,7-8,10H2,1-2H3,(H,17,18).
What are the key properties of 3-[ethyl-[2-(3-methylphenoxy)acetyl]amino]propanoic acid?
3-[ethyl-[2-(3-methylphenoxy)acetyl]amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(3-methylphenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 54899163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).