2-[(4-ethoxyphenyl)methyl]-3-(furan-2-carbonylamino)propanoic acid

C17H19NO5 — CID 119232251

IUPAC2-[(4-ethoxyphenyl)methyl]-3-(furan-2-carbonylamino)propanoic acid
SMILESCCOc1ccc(CC(CNC(=O)c2ccco2)C(=O)O)cc1
InChIInChI=1S/C17H19NO5/c1-2-22-14-7-5-12(6-8-14)10-13(17(20)21)11-18-16(19)15-4-3-9-23-15/h3-9,13H,2,10-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyWYHCFRPKRYEZRT-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.35
Rot. Bonds8

About 2-[(4-ethoxyphenyl)methyl]-3-(furan-2-carbonylamino)propanoic acid

2-[(4-ethoxyphenyl)methyl]-3-(furan-2-carbonylamino)propanoic acid (PubChem CID 119232251) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methyl]-3-(furan-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methyl]-3-(furan-2-carbonylamino)propanoic acid
PubChem CID119232251
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name2-[(4-ethoxyphenyl)methyl]-3-(furan-2-carbonylamino)propanoic acid
SMILESCCOc1ccc(CC(CNC(=O)c2ccco2)C(=O)O)cc1
InChIInChI=1S/C17H19NO5/c1-2-22-14-7-5-12(6-8-14)10-13(17(20)21)11-18-16(19)15-4-3-9-23-15/h3-9,13H,2,10-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyWYHCFRPKRYEZRT-UHFFFAOYSA-N
XLogP2.35
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid
CID 119231910
2-[[(3,5-dimethylfuran-2-carbonyl)amino]methyl]-3-(4-ethoxyphenyl)propanoic acid
CID 119232112
2-[(4-ethoxyphenyl)methyl]-3-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]propanoic acid
CID 119232157
2-benzyl-3-[[2-(4-ethoxyphenoxy)acetyl]amino]propanoic acid
CID 119233936
2-[(4-ethoxyphenyl)methyl]-3-[(2-phenoxyacetyl)amino]propanoic acid
CID 119232217
2-[(4-ethoxyphenyl)methyl]-3-(2-methylbutanoylamino)propanoic acid
CID 119231907
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 108539017
2-[(4-ethoxyphenyl)methyl]-3-[(3-methylthiophene-2-carbonyl)amino]propanoic acid
CID 119232009
2-[[[2-(2,6-difluorophenyl)acetyl]amino]methyl]-3-(4-ethoxyphenyl)propanoic acid
CID 120524919
2-[(4-ethoxyphenyl)methyl]-3-[(6-methoxypyridazine-3-carbonyl)amino]propanoic acid
CID 119232158
2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid
CID 119232164
N-[2-(4-ethoxyphenyl)-2-morpholin-4-ylethyl]furan-2-carboxamide
CID 112503589

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methyl]-3-(furan-2-carbonylamino)propanoic acid?
The IUPAC name of 2-[(4-ethoxyphenyl)methyl]-3-(furan-2-carbonylamino)propanoic acid (CID 119232251) is 2-[(4-ethoxyphenyl)methyl]-3-(furan-2-carbonylamino)propanoic acid.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methyl]-3-(furan-2-carbonylamino)propanoic acid?
The canonical SMILES for 2-[(4-ethoxyphenyl)methyl]-3-(furan-2-carbonylamino)propanoic acid is CCOc1ccc(CC(CNC(=O)c2ccco2)C(=O)O)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methyl]-3-(furan-2-carbonylamino)propanoic acid?
The InChIKey is WYHCFRPKRYEZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-2-22-14-7-5-12(6-8-14)10-13(17(20)21)11-18-16(19)15-4-3-9-23-15/h3-9,13H,2,10-11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(4-ethoxyphenyl)methyl]-3-(furan-2-carbonylamino)propanoic acid?
2-[(4-ethoxyphenyl)methyl]-3-(furan-2-carbonylamino)propanoic acid has a molecular weight of 317.34 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methyl]-3-(furan-2-carbonylamino)propanoic acid is sourced from PubChem (CID 119232251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).