2-(furan-2-yl)-2-[(4-methylbenzoyl)amino]acetic acid

C14H13NO4 — CID 82089753

IUPAC2-(furan-2-yl)-2-[(4-methylbenzoyl)amino]acetic acid
SMILESCc1ccc(C(=O)NC(C(=O)O)c2ccco2)cc1
InChIInChI=1S/C14H13NO4/c1-9-4-6-10(7-5-9)13(16)15-12(14(17)18)11-3-2-8-19-11/h2-8,12H,1H3,(H,15,16)(H,17,18)
InChIKeyYINYXXZMLDMWBI-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.14
Rot. Bonds4

About 2-(furan-2-yl)-2-[(4-methylbenzoyl)amino]acetic acid

2-(furan-2-yl)-2-[(4-methylbenzoyl)amino]acetic acid (PubChem CID 82089753) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-[(4-methylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-2-[(4-methylbenzoyl)amino]acetic acid
PubChem CID82089753
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name2-(furan-2-yl)-2-[(4-methylbenzoyl)amino]acetic acid
SMILESCc1ccc(C(=O)NC(C(=O)O)c2ccco2)cc1
InChIInChI=1S/C14H13NO4/c1-9-4-6-10(7-5-9)13(16)15-12(14(17)18)11-3-2-8-19-11/h2-8,12H,1H3,(H,15,16)(H,17,18)
InChIKeyYINYXXZMLDMWBI-UHFFFAOYSA-N
XLogP2.14
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyano(furan-2-yl)methyl]-4-methylbenzamide
CID 13075830
2-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
CID 166000301
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methylbenzamide
CID 121145461
N-[1-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 110889321
N-[chloro(furan-2-yl)methyl]benzamide
CID 174775719
N-[furan-2-yl(phenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55405944
4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050629
N-[(R)-furan-2-yl(phenyl)methyl]-3,5-dimethylbenzamide
CID 8928204
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[hydroxy(phenyl)methyl]-4-methylbenzamide
CID 3358853
N-[(1S)-2,2-dichloro-1-phenylethyl]-4-methylbenzamide
CID 2303417
N-[(1R)-1-(furan-2-yl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9482283

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-[(4-methylbenzoyl)amino]acetic acid?
The IUPAC name of 2-(furan-2-yl)-2-[(4-methylbenzoyl)amino]acetic acid (CID 82089753) is 2-(furan-2-yl)-2-[(4-methylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-(furan-2-yl)-2-[(4-methylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-(furan-2-yl)-2-[(4-methylbenzoyl)amino]acetic acid is Cc1ccc(C(=O)NC(C(=O)O)c2ccco2)cc1.
What is the InChIKey of 2-(furan-2-yl)-2-[(4-methylbenzoyl)amino]acetic acid?
The InChIKey is YINYXXZMLDMWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-9-4-6-10(7-5-9)13(16)15-12(14(17)18)11-3-2-8-19-11/h2-8,12H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(furan-2-yl)-2-[(4-methylbenzoyl)amino]acetic acid?
2-(furan-2-yl)-2-[(4-methylbenzoyl)amino]acetic acid has a molecular weight of 259.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-[(4-methylbenzoyl)amino]acetic acid is sourced from PubChem (CID 82089753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).