3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid

C15H15NO4 — CID 62883833

IUPAC3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid
SMILESCc1ccoc1C(=O)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H15NO4/c1-10-7-8-20-13(10)14(17)16-9-12(15(18)19)11-5-3-2-4-6-11/h2-8,12H,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyGNUWRANAKGXPOE-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.19
Rot. Bonds5

About 3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid

3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid (PubChem CID 62883833) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid
PubChem CID62883833
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid
SMILESCc1ccoc1C(=O)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H15NO4/c1-10-7-8-20-13(10)14(17)16-9-12(15(18)19)11-5-3-2-4-6-11/h2-8,12H,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyGNUWRANAKGXPOE-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic 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

N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide
CID 17449245
3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide
CID 43054971
3-(furan-3-carbonylamino)-2-phenylpropanoic acid
CID 62883834
N-[3-[(3-amino-3-phenylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 119951886
3-methyl-N-[2-methyl-3-(methylamino)propyl]furan-2-carboxamide
CID 81479014
N-(2-aminobutyl)-3-methylfuran-2-carboxamide
CID 63732617
N-(2-hydroxy-2-phenylpropyl)-3-methylfuran-2-carboxamide
CID 111335077
3-methoxy-4-[(3-methylfuran-2-carbonyl)amino]butanoic acid
CID 103152988
2-phenyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid
CID 120528796
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylfuran-2-carboxamide
CID 119525583
(2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30049147
3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62884347

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid (CID 62883833) is 3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid is Cc1ccoc1C(=O)NCC(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid?
The InChIKey is GNUWRANAKGXPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-10-7-8-20-13(10)14(17)16-9-12(15(18)19)11-5-3-2-4-6-11/h2-8,12H,9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid?
3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 62883833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).