2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]butanoic acid

C17H19NO4 — CID 119223716

IUPAC2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]butanoic acid
SMILESCCc1ccc(-c2ccc(C(=O)NC(CC)C(=O)O)o2)cc1
InChIInChI=1S/C17H19NO4/c1-3-11-5-7-12(8-6-11)14-9-10-15(22-14)16(19)18-13(4-2)17(20)21/h5-10,13H,3-4H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyGKBDMDZQRMCNAE-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.10
Rot. Bonds6

About 2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]butanoic acid

2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]butanoic acid (PubChem CID 119223716) 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]amino]butanoic acid.

Molecular Properties

Compound Name2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]butanoic acid
PubChem CID119223716
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]butanoic acid
SMILESCCc1ccc(-c2ccc(C(=O)NC(CC)C(=O)O)o2)cc1
InChIInChI=1S/C17H19NO4/c1-3-11-5-7-12(8-6-11)14-9-10-15(22-14)16(19)18-13(4-2)17(20)21/h5-10,13H,3-4H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyGKBDMDZQRMCNAE-UHFFFAOYSA-N
XLogP3.10
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[5-[4-(3-methylsulfonylpropoxy)phenyl]furan-2-carbonyl]amino]butanoic acid
CID 170211568
(2S)-2-[(5-phenylfuran-2-carbonyl)amino]butanedioic acid
CID 169205444
2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]acetic acid
CID 82124004
(2S)-2-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]butanoic acid
CID 170211559
(2R)-2-[[5-(4-acetylphenyl)furan-2-carbonyl]amino]-4-methylpentanoic acid
CID 119363534
(2R)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]pentanedioic acid
CID 40814315
N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide
CID 82118234
2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]butanoic acid
CID 119223928
5-(4-ethylphenyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119502712
2-[(5-ethylfuran-2-carbonyl)amino]-3-methoxypropanoic acid
CID 81077617
2-[[5-(4-ethylphenyl)furan-2-carbonyl]-methylamino]propanoic acid
CID 119209158
2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]butanoic acid
CID 43469217

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]butanoic acid?
The IUPAC name of 2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]butanoic acid (CID 119223716) is 2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]butanoic acid.
What is the SMILES notation for 2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]butanoic acid?
The canonical SMILES for 2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]butanoic acid is CCc1ccc(-c2ccc(C(=O)NC(CC)C(=O)O)o2)cc1.
What is the InChIKey of 2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]butanoic acid?
The InChIKey is GKBDMDZQRMCNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-3-11-5-7-12(8-6-11)14-9-10-15(22-14)16(19)18-13(4-2)17(20)21/h5-10,13H,3-4H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]butanoic acid?
2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]butanoic acid has a molecular weight of 301.34 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]butanoic acid is sourced from PubChem (CID 119223716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).