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

C15H15NO4 — CID 82124004

IUPAC2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]acetic acid
SMILESCCc1ccc(-c2ccc(C(=O)NCC(=O)O)o2)cc1
InChIInChI=1S/C15H15NO4/c1-2-10-3-5-11(6-4-10)12-7-8-13(20-12)15(19)16-9-14(17)18/h3-8H,2,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyYCRFAGQAROACCC-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.32
Rot. Bonds5

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

2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]acetic acid (PubChem CID 82124004) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]acetic acid
PubChem CID82124004
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]acetic acid
SMILESCCc1ccc(-c2ccc(C(=O)NCC(=O)O)o2)cc1
InChIInChI=1S/C15H15NO4/c1-2-10-3-5-11(6-4-10)12-7-8-13(20-12)15(19)16-9-14(17)18/h3-8H,2,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyYCRFAGQAROACCC-UHFFFAOYSA-N
XLogP2.32
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]amino]acetic acid
CID 82124001
5-(4-ethylphenyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119502712
5-(4-ethylphenyl)-N-[3-(methylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119432467
2-[[5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)furan-2-carbonyl]amino]acetic acid
CID 166379250
2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]butanoic acid
CID 119223716
5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 18145739
5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 18145659
2-[[5-(3-chloro-5-fluorophenyl)furan-2-carbonyl]amino]acetic acid
CID 176914450
5-(4-ethylphenyl)-N-piperidin-4-ylfuran-2-carboxamide
CID 119388707
2-[[5-(4-ethylphenyl)furan-2-carbonyl]-methylamino]propanoic acid
CID 119209158
2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]acetic acid
CID 43354372
ethyl 4-[[(5-phenylfuran-2-carbonyl)amino]methyl]benzoate
CID 59654810

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]acetic acid (CID 82124004) is 2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]acetic acid is CCc1ccc(-c2ccc(C(=O)NCC(=O)O)o2)cc1.
What is the InChIKey of 2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]acetic acid?
The InChIKey is YCRFAGQAROACCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-2-10-3-5-11(6-4-10)12-7-8-13(20-12)15(19)16-9-14(17)18/h3-8H,2,9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]acetic acid?
2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]acetic acid has a molecular weight of 273.29 g/mol, XLogP of 2.32, 5 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]acetic acid is sourced from PubChem (CID 82124004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).