2-[[5-(4-ethylphenyl)furan-2-carbonyl]-methylamino]propanoic acid

C17H19NO4 — CID 119209158

IUPAC2-[[5-(4-ethylphenyl)furan-2-carbonyl]-methylamino]propanoic acid
SMILESCCc1ccc(-c2ccc(C(=O)N(C)C(C)C(=O)O)o2)cc1
InChIInChI=1S/C17H19NO4/c1-4-12-5-7-13(8-6-12)14-9-10-15(22-14)16(19)18(3)11(2)17(20)21/h5-11H,4H2,1-3H3,(H,20,21)
InChIKeyVKMVJTCVFOKONC-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.05
Rot. Bonds5

About 2-[[5-(4-ethylphenyl)furan-2-carbonyl]-methylamino]propanoic acid

2-[[5-(4-ethylphenyl)furan-2-carbonyl]-methylamino]propanoic acid (PubChem CID 119209158) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[[5-(4-ethylphenyl)furan-2-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[5-(4-ethylphenyl)furan-2-carbonyl]-methylamino]propanoic acid
PubChem CID119209158
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-[[5-(4-ethylphenyl)furan-2-carbonyl]-methylamino]propanoic acid
SMILESCCc1ccc(-c2ccc(C(=O)N(C)C(C)C(=O)O)o2)cc1
InChIInChI=1S/C17H19NO4/c1-4-12-5-7-13(8-6-12)14-9-10-15(22-14)16(19)18(3)11(2)17(20)21/h5-11H,4H2,1-3H3,(H,20,21)
InChIKeyVKMVJTCVFOKONC-UHFFFAOYSA-N
XLogP3.05
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)propyl]-N-ethyl-5-(4-ethylphenyl)furan-2-carboxamide
CID 100676417
2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]acetic acid
CID 82124004
2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]butanoic acid
CID 119223716
5-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylfuran-2-carboxamide;hydrochloride
CID 119552942
2-[butan-2-yl-[5-(4-fluorophenyl)furan-2-carbonyl]amino]acetic acid
CID 119954940
1-(5-phenylfuran-2-yl)propan-1-one
CID 62631331
5-(4-butan-2-ylphenyl)furan-2-carboxylic acid
CID 63423966
5-(4-ethylphenyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119502712
2-[[5-(4-fluorophenyl)furan-2-yl]methyl-methylamino]propanoic acid
CID 122036744
5-(4-ethylphenyl)-N-[3-(methylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119432467
5-(6-methoxy-3-pyridinyl)-N,N-dimethylfuran-2-carboxamide
CID 121498410
[5-(4-ethylphenyl)furan-2-yl]methanol
CID 60894732

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-ethylphenyl)furan-2-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[5-(4-ethylphenyl)furan-2-carbonyl]-methylamino]propanoic acid (CID 119209158) is 2-[[5-(4-ethylphenyl)furan-2-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[5-(4-ethylphenyl)furan-2-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[5-(4-ethylphenyl)furan-2-carbonyl]-methylamino]propanoic acid is CCc1ccc(-c2ccc(C(=O)N(C)C(C)C(=O)O)o2)cc1.
What is the InChIKey of 2-[[5-(4-ethylphenyl)furan-2-carbonyl]-methylamino]propanoic acid?
The InChIKey is VKMVJTCVFOKONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-4-12-5-7-13(8-6-12)14-9-10-15(22-14)16(19)18(3)11(2)17(20)21/h5-11H,4H2,1-3H3,(H,20,21).
What are the key properties of 2-[[5-(4-ethylphenyl)furan-2-carbonyl]-methylamino]propanoic acid?
2-[[5-(4-ethylphenyl)furan-2-carbonyl]-methylamino]propanoic acid has a molecular weight of 301.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-ethylphenyl)furan-2-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 119209158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).