2-(N-(3-methylfuran-2-carbonyl)anilino)acetic acid

C14H13NO4 — CID 60830300

IUPAC2-(N-(3-methylfuran-2-carbonyl)anilino)acetic acid
SMILESCc1ccoc1C(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C14H13NO4/c1-10-7-8-19-13(10)14(18)15(9-12(16)17)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,17)
InChIKeyCWNUHNUINCTHKY-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.32
Rot. Bonds4

About 2-(N-(3-methylfuran-2-carbonyl)anilino)acetic acid

2-(N-(3-methylfuran-2-carbonyl)anilino)acetic acid (PubChem CID 60830300) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-(N-(3-methylfuran-2-carbonyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(N-(3-methylfuran-2-carbonyl)anilino)acetic acid
PubChem CID60830300
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name2-(N-(3-methylfuran-2-carbonyl)anilino)acetic acid
SMILESCc1ccoc1C(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C14H13NO4/c1-10-7-8-19-13(10)14(18)15(9-12(16)17)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,17)
InChIKeyCWNUHNUINCTHKY-UHFFFAOYSA-N
XLogP2.32
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(N-(3-methylfuran-2-carbonyl)anilino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N-(4,5-dimethylthiophene-2-carbonyl)anilino)acetic acid
CID 60831160
N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-methylfuran-2-carboxamide
CID 99839991
2-(N-(3-methylbenzoyl)anilino)acetic acid
CID 28765017
2-(N-(5-fluoro-2-methylbenzoyl)anilino)acetic acid
CID 63049276
2-(N-(3-chloro-2-methylbenzoyl)anilino)acetic acid
CID 107095859
3-methyl-N-(3-nitrophenyl)-N-propylfuran-2-carboxamide
CID 99840653
2-[N-(2-methylpropanoyl)anilino]acetic acid
CID 28764984
N-(2-aminoethyl)-3-methyl-N-(2-phenylethyl)furan-2-carboxamide;hydrochloride
CID 120885291
2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid
CID 60831615
2-(N-(4-methylsulfanylbenzoyl)anilino)acetic acid
CID 60831323
2-[N-(diethylcarbamoyl)anilino]acetic acid
CID 61187149
2-(N-(3,5-difluorobenzoyl)anilino)acetic acid
CID 60832677

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3-methylfuran-2-carbonyl)anilino)acetic acid?
The IUPAC name of 2-(N-(3-methylfuran-2-carbonyl)anilino)acetic acid (CID 60830300) is 2-(N-(3-methylfuran-2-carbonyl)anilino)acetic acid.
What is the SMILES notation for 2-(N-(3-methylfuran-2-carbonyl)anilino)acetic acid?
The canonical SMILES for 2-(N-(3-methylfuran-2-carbonyl)anilino)acetic acid is Cc1ccoc1C(=O)N(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-(N-(3-methylfuran-2-carbonyl)anilino)acetic acid?
The InChIKey is CWNUHNUINCTHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-10-7-8-19-13(10)14(18)15(9-12(16)17)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 2-(N-(3-methylfuran-2-carbonyl)anilino)acetic acid?
2-(N-(3-methylfuran-2-carbonyl)anilino)acetic acid has a molecular weight of 259.26 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3-methylfuran-2-carbonyl)anilino)acetic acid is sourced from PubChem (CID 60830300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).