3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid

C15H15NO4 — CID 29261712

IUPAC3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid
SMILESCc1occc1C(=O)Nc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C15H15NO4/c1-10-13(8-9-20-10)15(19)16-12-5-2-11(3-6-12)4-7-14(17)18/h2-3,5-6,8-9H,4,7H2,1H3,(H,16,19)(H,17,18)
InChIKeyBUQPTNKBVNGVFJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.86
Rot. Bonds5

About 3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid

3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid (PubChem CID 29261712) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid
PubChem CID29261712
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid
SMILESCc1occc1C(=O)Nc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C15H15NO4/c1-10-13(8-9-20-10)15(19)16-12-5-2-11(3-6-12)4-7-14(17)18/h2-3,5-6,8-9H,4,7H2,1H3,(H,16,19)(H,17,18)
InChIKeyBUQPTNKBVNGVFJ-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic 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

3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]butanoic acid
CID 104501824
2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid
CID 65345833
3-[5-[(2-methylfuran-3-carbonyl)amino]-1,3-dioxoisoindol-2-yl]propanoic acid
CID 17359001
3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 75513517
3-[4-[(2-benzamidobenzoyl)amino]phenyl]propanoic acid
CID 23593002
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide
CID 60804499
4-[(2-methylfuran-3-carbonyl)amino]butanoic acid
CID 16777160
5-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-5-oxopentanoic acid
CID 5103163
2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide
CID 46421851
3-[4-(carboniodidoylamino)phenyl]propanoic acid
CID 145154280
2-bromo-N-[4-(2-chloroethyl)phenyl]furan-3-carboxamide
CID 106856118
3-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid
CID 115339330

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid (CID 29261712) is 3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid is Cc1occc1C(=O)Nc1ccc(CCC(=O)O)cc1.
What is the InChIKey of 3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is BUQPTNKBVNGVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-10-13(8-9-20-10)15(19)16-12-5-2-11(3-6-12)4-7-14(17)18/h2-3,5-6,8-9H,4,7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid?
3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 29261712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).