3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid

C14H19NO4 — CID 43170647

IUPAC3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
SMILESCCOc1ccccc1CCC(=O)NCCC(=O)O
InChIInChI=1S/C14H19NO4/c1-2-19-12-6-4-3-5-11(12)7-8-13(16)15-10-9-14(17)18/h3-6H,2,7-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyPBUIGOSNXODUKS-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.61
Rot. Bonds8

About 3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid

3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid (PubChem CID 43170647) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
PubChem CID43170647
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
SMILESCCOc1ccccc1CCC(=O)NCCC(=O)O
InChIInChI=1S/C14H19NO4/c1-2-19-12-6-4-3-5-11(12)7-8-13(16)15-10-9-14(17)18/h3-6H,2,7-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyPBUIGOSNXODUKS-UHFFFAOYSA-N
XLogP1.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate
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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid?
The IUPAC name of 3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid (CID 43170647) is 3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid.
What is the SMILES notation for 3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid?
The canonical SMILES for 3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid is CCOc1ccccc1CCC(=O)NCCC(=O)O.
What is the InChIKey of 3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid?
The InChIKey is PBUIGOSNXODUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-19-12-6-4-3-5-11(12)7-8-13(16)15-10-9-14(17)18/h3-6H,2,7-10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid?
3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid is sourced from PubChem (CID 43170647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).